text:
rights reserved},
  file = {/Users/shyue/Zotero/storage/QZKMUYX5/2018 - Wang et al. - Joule.pdf},
  journal = {Joule},
  keywords = {corresponding,NanoWerk: https://www.nanowerk.com/nanotechnology-news/newsid=49452.php,UCSD News: https://ucsdnews.ucsd.edu/pressrelease/supercomputers_aid_discovery_of_new_inexpensive_material_to_make_leds},
  number = {5}
}

@article{wangMixedspaceApproachFirstprinciples2010,
  title = {A Mixed-Space Approach to First-Principles Calculations of Phonon Frequencies for Polar Materials.},
  author = {Wang, Y and Wang, J J and Wang, W Y and Mei, Z G and Shang, S L and Chen, L Q and Liu, Z K},
  year = {2010},
  volume = {22},
  pages = {202201},
  issn = {0953-8984},
  doi = {10.1088/0953-8984/22/20/202201},
  abstract = {We propose a mixed-space approach using the accurate force constants calculated by the direct approach in real space and the dipole-dipole interactions calculated by linear response theory in reciprocal space, making the accurate prediction of phonon frequencies for polar materials possible using the direct approach as well as linear response theory. As examples, by using the present approach, we predict the first-principles phonon properties of the polar materials {$\alpha$}-Al(2)O(3), MgO, c-SiC, and h-BN, which are in excellent agreement with available experimental data.},
  file = {/Users/shyue/Zotero/storage/8JRWMUJT/2010 - Wang et al. - Journal of physics. Condensed matter an Institute of Physics journal.pdf},
  journal = {Journal of physics. Condensed matter : an Institute of Physics journal},
  pmid = {21393699}
}

@article{wangMultifunctionalTiO2nanowiresmodifiedNanoparticles2010,
  title = {Multifunctional {{TiO2nanowires}}-Modified Nanoparticles Bilayer Film for {{3D}} Dye-Sensitized Solar Cells},
  author = {Wang, H. and Liu, Y. and Li, M. and Huang, H. and Xu, Hong Mei and Hong, Rui Jiang and Shen, H.},
  year = {2010},
  volume = {4},
  pages = {1166--1169},
  issn = {18426573},
  doi = {10.1039/b000000x},
  abstract = {The radial free-standing TiO2 nanowires were rooted into TiO2 nanoparticles film coated Ti wire via a facile hydrothermal method. This TiO2 nanowires-modified nanoparticles bilayer film acted as a multifunctional role for enhancing solar cells efficiency: light trapping, modification of thin film surface cracks, electricity-generation properties and providing fast electron transfer pathway. The study results revealed that the three-dimensional (3D) dye-sensitized solar cells fabricated with TiO2 bilayer film increased by 32.7\% in the max output power as compared to the TiO2 NPs film under AM1.5G condition. This increase is mainly attributed to the better light scattering of the TiO2 bilayer film. [on SciFinder(R)]},
  file = {/Users/shyue/Zotero/storage/NIKGZMGM/2010 - Wang et al. - Optoelectronics and Advanced Materials, Rapid Communications.pdf},
  journal = {Optoelectronics and Advanced Materials, Rapid Communications},
  keywords = {Nanoparticle,Nanowire,Solar cell,TiO2},
  number = {8},
  pmid = {24173598}
}

@article{wangNaVacancyDisordering2018,
  title = {Na+/Vacancy Disordering Promises High-Rate {{Na}}-Ion Batteries},
  author = {Wang, Peng Fei and Yao, Hu Rong and Liu, Xin Yu and Yin, Ya Xia and Zhang, Jie Nan and Wen, Yuren and Yu, Xiqian and Gu, Lin and Guo, Yu Guo},
  year = {2018},
  volume = {4},
  pages = {1--10},
  issn = {23752548},
  doi = {10.1126/sciadv.aar6018},
  abstract = {As one of the most fascinating cathode candidates for Na-ion batteries (NIBs), P2-type Na layered oxides usually exhibit various single-phase domains accompanied by different Na+/vacancy-ordered superstructures, depending on the Na concentration when explored in a limited electrochemical window. Therefore, their Na+ kinetics and cycling stability at high rates are subjected to these superstructures, incurring obvious voltage plateaus in the electrochemical profiles and insufficient battery performance as cathode materials for NIBs. We show that this problem can be effectively diminished by reasonable structure modulation to construct a completely disordered arrangement of Na-vacancy within Na layers. The combined analysis of scanning transmission electron microscopy, ex situ x-ray absorption spectroscopy, and operando x-ray diffraction experiments, coupled with density functional theory calculations, reveals that Na+/vacancy disordering between the transition metal oxide slabs ensures both fast Na mobility (10-10 to 10-9 cm2 s-1) and a low Na diffusion barrier (170 meV) in P2-type compounds. As a consequence, the designed P2-Na2/3Ni1/3Mn1/3Ti1/3O2 displays extra-long cycle life (83.9\% capacity retention after 500 cycles at 1 C) and unprecedented rate capability (77.5\% of the initial capacity at a high rate of 20 C). These findings open up a new route to precisely design high-rate cathode materials for rechargeable NIBs.},
  file = {/Users/shyue/Zotero/storage/W4J6H2QE/2018 - Wang et al. - Science Advances.pdf},
  journal = {Science Advances},
  number = {3}
}

@article{wangNeighboringCationSubstitutionTuning2013,
  title = {Neighboring-{{Cation Substitution Tuning}} of {{Photoluminescence}} by {{Remote}}-{{Controlled Activator}} in {{Phosphor Lattice}}},
  author = {Wang, Siao-Shan and Chen, Wei-ting and Li, Ye and Wang, Jing and Sheu, Hwo-shuenn and Liu, Ru-shi},
  year = {2013},
  month = aug,
  volume = {135},
  pages = {12504--12507},
  issn = {0002-7863},
  doi = {10.1021/ja404510v},
  abstract = {Highly efficient red phosphors with superior intrinsic properties that are excited by ultraviolet or blue light-emitting diodes are important white light sources for our daily life. Nitride-based phosphors, such as Sr 2 Si 5 N 8 :Eu 2+ and CaAlSiN 3 :Eu 2+ , are commonly more red-shifted in photoluminescence and have better thermal/ chemical stability than oxides. Cation substitutions are usually performed to optimize photoluminescence and thermal quenching behavior. However, the underlying mechanisms are unclear in most cases. Here we show that neighboring-cation substitution systematically controls temperature-dependent photoluminescence behavior in CaAlSiN 3 :Eu 2+ lattice. Trivalent cation substitution at the Ca 2+ site degrades the photoluminescence in hightemperature environments but achieves better thermal stability when the substituted cation turns monovalent. The neighboring-cation control of lifetime decay is also observed. A remote control effect that guides Eu 2+ activators in selective Ca 2+ sites is proposed for neighboring-cation substitution while the compositional Si 4+ /Al 3+ ratio adjusts to the valence of M n+ (n = 1-3) cation. In the remote control effect, the Eu 2+ activators are surrounded with nitride anions which neighbor with M 3+ dominant and Si 4+ /Al 3+ -equivalent coordination when M is trivalent, but shift to the site where surrounded nitride anions neighbor with M + -dominant and Si-rich coordination when M is monovalent. This mechanism can efficiently tune optical properties, especially thermal stability, and could be general to luminescent materials, which are sensitive to valence variation in local environments.},
  file = {/Users/shyue/Zotero/storage/LC26T34V/2013 - Wang et al. - Journal of the American Chemical Society.pdf},
  journal = {Journal of the American Chemical Society},
  number = {34}
}

@article{wangNovelHighCapacity2015,
  title = {A {{Novel High Capacity Positive Electrode Material}} with {{Tunnel}}-{{Type Structure}} for {{Aqueous Sodium}}-{{Ion Batteries}}},
  author = {Wang, Yuesheng and Mu, Linqin and Liu, Jue and Yang, Zhenzhong and Yu, Xiqian and Gu, Lin and Hu, Yong-Sheng and Li, Hong and Yang, Xiao-Qing and Chen, Liquan and Huang, Xuejie},
  year = {2015},
  month = aug,
  pages = {n/a--n/a},
  issn = {16146832},
  doi = {10.1002/aenm.201501005},
  file = {/Users/shyue/Zotero/storage/86MDS7PD/2015 - Wang et al. - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials}
}

@article{wangohUniformSecondLi2016,
  title = {Uniform Second {{Li}} Ion Intercalation in Solid State {$\epsilon$}-{{LiVOPO4}}},
  author = {Wangoh, Linda W. and Sallis, Shawn and Wiaderek, Kamila M. and Lin, Yuh-Chieh and Wen, Bohua and Quackenbush, Nicholas F. and Chernova, Natasha A. and Guo, Jinghua and Ma, Lu and Wu, Tianpin and Lee, Tien-Lin and Schlueter, Christoph and Ong, Shyue Ping and Chapman, Karena W. and Whittingham, M. Stanley and Piper, Louis F. J.},
  year = {2016},
  month = aug,
  volume = {109},
  pages = {053904},
  issn = {0003-6951},
  doi = {10.1063/1.4960452},
  abstract = {Full, reversible intercalation of two Li+ has not yet been achieved in promising VOPO4 electrodes. A pronounced Li+ gradient has been reported in the low voltage window (i.e. second lithium reaction) that is thought to originate from disrupted kinetics in the high voltage regime (i.e first lithium reaction). Here we employ a combination of hard and soft x\textendash ray photoelectron and absorption spectroscopy techniques to depth profile solid state synthesized LiVOPO4 cycled within the low voltage window only. Analysis of the vanadium environment revealed no evidence of a Li+ gradient, which combined with almost full theoretical capacity confirms that disrupted kinetics in the high voltage window are responsible for hindering full two lithium insertion. Furthermore, we argue that the uniform Li+ intercalation is a prerequisite for the formation of intermediate phases Li1.50VOPO4 and Li1.75VOPO4 . The evolution from LiVOPO4 to Li2VOPO4 via the intermediate phases is confirmed by direct comparison between O K\textendash edge absorption spectroscopy and density functional theory.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/NK3NI5EE/2016 - Wangoh et al. - Applied Physics Letters.pdf},
  journal = {Applied Physics Letters},
  number = {5}
}

@article{wangOriginCyclingStability1999,
  title = {Origin of {{Cycling Stability}} in {{Monoclinic}}- and {{Orthorhombic}}-{{Phase Lithium Manganese Oxide Cathodes}}},
  shorttitle = {Electrochem. {{Solid}}-{{State Lett}}.},
  author = {Wang, Haifeng and Jang, Young-Il and Chiang, Yet-Ming},
  year = {1999},
  month = oct,
  volume = {2},
  pages = {490--493},
  abstract = {High-resolutionelectron microscopy of electrochemically cycled LiMnO2 and LiAlyMn1\textendash yO2shows that boththe orthorhombic and monoclinic (layered) polymorphs form antiphase domain microstructuresof 5\textendash 20 nm size upon transforming to cubic spinel. During thesubsequent cubic tetragonal transformation, the antiphase domains become ferroelasticdomains that are able to accommodate the large Jahn-Teller inducedstrain. Electron diffraction patterns show that much cubic spinel isretained at high overall lithiation. A partially inverse structure withsome Mn occupying 8a tetrahedral sites is likely. These featuresof the transformed spinels provide for improved capacity retention uponcycling compared to conventional LiMn2O4. \textcopyright 1999 The Electrochemical Society},
  file = {/Users/shyue/Zotero/storage/BSJSWXSA/1999 - Wang, Jang, Chiang - Electrochemical and Solid-State Letters.pdf},
  journal = {Electrochemical and Solid-State Letters},
  number = {10}
}

@article{wangOxidationEnergiesTransition2006,
  title = {Oxidation Energies of Transition Metal Oxides within the {{GGA}}+{{U}} Framework},
  author = {Wang, Lei and Maxisch, Thomas and Ceder, Gerbrand},
  year = {2006},
  volume = {73},
  pages = {195107},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.73.195107},
  abstract = {The energy of a large number of oxidation reactions of 3d transition metal oxides is computed using the generalized gradient approach GGA and GGA+U methods. Two substantial contributions to the error in GGA oxidation energies are identified. The first contribution originates from the overbinding of GGA in the O2 molecule and only occurs when the oxidant is O2. The second error occurs in all oxidation reactions and is related to the correlation error in 3d orbitals in GGA. Strong self-interaction in GGA systematically penalizes a reduced state with more d electrons over an oxidized state, resulting in an overestimation of oxidation energies. The constant error in the oxidation energy from the O2 binding error can be corrected by fitting the formation enthalpy of simple nontransition metal oxides. Removal of the O2 binding error makes it possible to address the correlation effects in 3d transition metal oxides with the GGA+U method. Calculated oxidation energies agree well with experimental data for reasonable and consistent values of U.},
  file = {/Users/shyue/Zotero/storage/LE4BBKTV/2006 - Wang, Maxisch, Ceder - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {19}
}

@article{wangOxygendrivenTransitionTwodimensional2016,
  title = {Oxygen-Driven Transition from Two-Dimensional to Three-Dimensional Transport Behavior in {$\beta$}-{{Li}} \textbackslash textlesssub\textbackslash textgreater3\textbackslash textless/Sub\textbackslash textgreater {{PS}} \textbackslash textlesssub\textbackslash textgreater4\textbackslash textless/Sub\textbackslash textgreater Electrolyte},
  author = {Wang, Xuelong and Xiao, Ruijuan and Li, Hong and Chen, Liquan},
  year = {2016},
  issn = {1463-9076},
  doi = {10.1039/C6CP03179J},
  file = {/Users/shyue/Zotero/storage/EPCYAY59/2016 - Wang et al. - Phys. Chem. Chem. Phys.pdf},
  journal = {Phys. Chem. Chem. Phys.}
}

@article{wangParticleCompressionConductivity2004,
  title = {Particle {{Compression}} and {{Conductivity}} in {{Li}}-{{Ion Anodes}} with {{Graphite Additives}}},
  author = {Wang, C.-W. and Yi, Y.-B. and Sastry, a. M. and Shim, J. and a. Striebel, K.},
  year = {2004},
  volume = {151},
  pages = {A1489},
  issn = {00134651},
  doi = {10.1149/1.1783909},
  abstract = {We performed coupled theoretical/experimental studies on Li-ion cells to quantify reductions in anode resistivity and/or contact resistance between the matrix and the current collector with the addition of amorphous carbon coatings and anode compression. We also aimed to identify microstructural changes in constituent particles due to anode compression, using models of permeable-impermeable coatings of graphite particles. We studied three anode materials, SL-20, GDR-6 (6 wt \% amorphous carbon coating), and GDR-14 (14 wt \% amorphous carbon coating). Four compression conditions (0, 100, 200, and 300 kg/cm2) were examined. Experimental results indicated that electrical resistivities for unpressed materials were reduced with addition of amorphous carbon coating (for unpressed materials: rhoSL-20\textbackslash textgreaterrhoGDR-6\textbackslash textgreaterrhoGDR-14). Contact resistances were reduced for SL-20 anodes by the application of pressure. Overall, the two-dimensional (2D) impermeable particle mathematical model provided reasonable agreement with the experiments for SL-20 and GDR-6 materials, indicating that coatings remain intact for these materials even at moderate pressures (100 and 200 kg/cm2). Conductivities of SL-20 and GDR-6 anodes exposed to the highest pressure (300 kg/cm2) fell short of model predictions, suggesting particle breakage. For the GDR-14 graphite, both 2D models underestimated conductivity for all processing conditions. We conclude that the 2D simulation approach is useful in determining the state of coating.},
  file = {/Users/shyue/Zotero/storage/DIMJ7HP8/2004 - Wang et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {9}
}

@article{wangPromisingMobasedLithiumrich2019,
  title = {A Promising {{Mo}}-Based Lithium-Rich Phase for {{Li}}-Ion Batteries},
  author = {Wang, Yongqing and Zhou, Haoshen and Ji, Hongbing},
  year = {2019},
  volume = {9},
  pages = {17852--17855},
  issn = {2046-2069},
  doi = {10.1039/C9RA03449H},
  abstract = {A Mo-based composite material was demonstrated as a cathode for Li-ion batteries.           ,                             Herein, we demonstrate a composite Mo-based lithium-rich Li               2               MoO               4               {$\cdot$}LiNi               0.4               Mn               0.4               Co               0.2               O               2               material, which exhibits a higher practical capacity of 270 mA h g               -1               , and better capacity retention (61\% after 50 cycles) when compared with the well-known Li               2               MnO               3               .},
  file = {/Users/shyue/Zotero/storage/S6UKYCNN/Wang et al. - 2019 - A promising Mo-based lithium-rich phase for Li-ion.pdf},
  journal = {RSC Advances},
  language = {en},
  number = {31}
}

@article{wangPrussianBlueAnalogs2018,
  title = {Prussian {{Blue Analogs}} for {{Rechargeable Batteries}}},
  author = {Wang, Baoqi and Han, Yu and Wang, Xiao and Bahlawane, Naoufal and Pan, Hongge and Yan, Mi and Jiang, Yinzhu},
  year = {2018},
  month = may,
  volume = {3},
  pages = {110--133},
  issn = {25890042},
  doi = {10.1016/j.isci.2018.04.008},
  abstract = {Summary Non-lithium energy storage devices, especially sodium ion batteries, are drawing attention due to insufficient and uneven distribution of lithium resources. Prussian blue and its analogs (Prussian blue analogs [PBAs]), or hexacyanoferrates, are well-known since the 18th century and have been used for hydrogen storage, cancer therapy, biosensing, seawater desalination, and sewage treatment. Owing to their unique features, PBAs are receiving increasing interest in the field of energy storage, such as their high theoretical specific capacity, ease of synthesis, as well as low cost. In this review, a general summary and evaluation of the applications of PBAs for rechargeable batteries are given. After a brief review of the history of PBAs, their crystal structure, nomenclature, synthesis, and working principle in rechargeable batteries are discussed. Then, previous works classified based on the combination of insertion cations and transition metals are analyzed comprehensively. The review includes an outlook toward the further development of PBAs in electrochemical energy storage.},
  file = {/Users/shyue/Zotero/storage/LDPGQYTR/2018 - Wang et al. - iScience.pdf},
  journal = {iScience},
  keywords = {Electrochemical Energy Storage,Energy Materials,Organometallic Chemistry}
}

@article{wangRadiationinducedSegregationCeramic2020,
  title = {Radiation-Induced Segregation in a Ceramic},
  author = {Wang, Xing and Zhang, Hongliang and Baba, Tomonori and Jiang, Hao and Liu, Cheng and Guan, Yingxin and Elleuch, Omar and Kuech, Thomas and Morgan, Dane and Idrobo, Juan-Carlos and Voyles, Paul M. and Szlufarska, Izabela},
  year = {2020},
  month = may,
  issn = {1476-1122, 1476-4660},
  doi = {10.1038/s41563-020-0683-y},
  file = {/Users/shyue/Zotero/storage/K8BZAETR/Wang et al. - 2020 - Radiation-induced segregation in a ceramic.pdf},
  journal = {Nature Materials},
  language = {en}
}

@article{wangReviewFeaturesProgress2018,
  title = {A {{Review}} on the {{Features}} and {{Progress}} of {{Dual}}-{{Ion Batteries}}},
  author = {Wang, Meng and Tang, Yongbing},
  year = {2018},
  month = mar,
  volume = {1703320},
  pages = {1703320},
  issn = {16146832},
  doi = {10.1002/aenm.201703320},
  file = {/Users/shyue/Zotero/storage/2CYR4VDU/2018 - Wang, Tang - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials},
  number = {4}
}

@article{wangSinglelayeredV2O5Promising2013,
  title = {Single-Layered {{V2O5}} a Promising Cathode Material for Rechargeable {{Li}} and {{Mg}} Ion Batteries: An Ab Initio Study.},
  author = {Wang, Zhiguo and Su, Qiulei and Deng, Huiqiu},
  year = {2013},
  month = jun,
  volume = {15},
  pages = {8705--9},
  issn = {1463-9084},
  doi = {10.1039/c3cp51167g},
  abstract = {Using first principles calculations based on density functional theory, the adsorption and diffusion properties of Li and Mg atoms on single-layered and bulk V2O5 are investigated. The simulation results show that the diffusion barrier of Li on the single-layered V2O5 is decreased compared with that of the bulk V2O5, which indicates that the Li mobility can be significantly enhanced on the single-layered V2O5. The increased binding energies of Li to single-layered V2O5 make them more attractive for promising cathode materials. Although the diffusion barrier of Mg on the single-layered V2O5 does not decrease, the binding energies of Mg to single-layered V2O5 is increased compared with that of bulk V2O5, thus the single-layered V2O5 is an attractive cathode material for rechargeable ion batteries.},
  file = {/Users/shyue/Zotero/storage/CX9IJQQG/2013 - Wang, Su, Deng - Physical chemistry chemical physics PCCP.pdf},
  journal = {Physical chemistry chemical physics : PCCP},
  number = {22},
  pmid = {23636124}
}

@article{wangSituNeutronDepth2017,
  title = {In {{Situ Neutron Depth Profiling}} of {{Lithium Metal}}-{{Garnet Interfaces}} for {{Solid State Batteries}}},
  author = {Wang, Chengwei and Gong, Yunhui and Dai, Jiaqi and Zhang, Lei and Xie, Hua and Pastel, Glenn and Liu, Boyang and Wachsman, Eric and Wang, Howard and Hu, Liangbing},
  year = {2017},
  pages = {jacs.7b07904},
  issn = {0002-7863},
  doi = {10.1021/jacs.7b07904},
  file = {/Users/shyue/Zotero/storage/FK56PLRB/2017 - Wang et al. - Journal of the American Chemical Society.pdf},
  journal = {Journal of the American Chemical Society}
}

@article{wangSpinelLiNiMn2016,
  title = {Spinel {{LiNi}} 0.5 {{Mn}} 1.5 {{O}} 4 {{Cathode}} for {{High}}-{{Energy Aqueous Lithium}}-{{Ion Batteries}}},
  author = {Wang, Fei and Suo, Liumin and Liang, Yujia and Yang, Chongyin and Han, Fudong and Gao, Tao and Sun, Wei and Wang, Chunsheng},
  year = {2016},
  month = dec,
  volume = {4},
  pages = {1600922},
  issn = {16146832},
  doi = {10.1002/aenm.201600922},
  file = {/Users/shyue/Zotero/storage/FZLFGV4V/2016 - Wang et al. - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials}
}

@article{wangStructuralChangesHighEnergy2018,
  title = {Structural {{Changes}} in a {{High}}-{{Energy Density VO2F Cathode}} upon {{Heating}} and {{Li Cycling}}},
  author = {Wang, Xiaoya and Lin, Yuh-Chieh and Zhou, Hui and Omenya, Fredrick and Chu, Iek-Heng and Karki, Khim and Sallis, Shawn and Rana, Jatinkumar and Piper, Louis F. J. and Chernova, Natasha A. and Ong, Shyue Ping and Whittingham, M. Stanley},
  year = {2018},
  month = sep,
  pages = {acsaem.8b00473},
  issn = {2574-0962},
  doi = {10.1021/acsaem.8b00473},
  abstract = {Structural changes in VO2F, which allow twoelectron transfer during electrochemical Li cycling, were investigated. This compound adopts a rhombohedral structure, space group R-3c, with O and F sharing one site, and was synthesized by high-energy ball-milling. The thermal stability of VO2F, which is related to the battery safety, is studied by in situ XRD upon heating and by thermal gravimetric analysis. VO2F is found to be stable up to 160 \textdegree C under inert atmosphere; above this temperature, it converts into vanadium oxide with fluorine loss. The structure evolution upon lithium cycling was studied by ex situ X-ray diffraction and absorption techniques. The results show that lithiation of VO2F goes through a solid-solution reaction, and the rhombohedral structure is preserved if no more than one lithium ion is intercalated. Upon a second Li insertion, an irreversible transition to a rock-salt structure occurs. We show using first-principles calculations that this irreversible transformation can be explained by an asymmetric energetic preference between the rhombohedral and rock-salt forms of LixVO2F, which result in large thermodynamic driving forces to convert to the rock-salt structure at x \textbackslash textgreater 1 and relatively small thermodynamic driving forces to convert back to the rhombohedral structure when delithiating to x \textbackslash textless 1.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/JATPPTCS/2018 - Wang et al. - ACS Applied Energy Materials.pdf},
  journal = {ACS Applied Energy Materials},
  keywords = {cathode,lithium ion battery,structure evolution,thermal stability,vanadium oxy fl uoride}
}

@article{wangSuperconcentratedElectrolytesHighvoltage2016,
  title = {Superconcentrated Electrolytes for a High-Voltage Lithium-Ion Battery},
  author = {Wang, Jianhui and Yamada, Yuki and Sodeyama, Keitaro and Chiang, Ching Hua and Tateyama, Yoshitaka and Yamada, Atsuo},
  year = {2016},
  volume = {7},
  pages = {1--9},
  issn = {20411723},
  doi = {10.1038/ncomms12032},
  abstract = {Finding a viable electrolyte for next-generation 5 V-class lithium-ion batteries is of primary importance. A long-standing obstacle has been metal-ion dissolution at high voltages. The LiPF6 salt in conventional electrolytes is chemically unstable, which accelerates transition metal dissolution of the electrode material, yet beneficially suppresses oxidative dissolution of the aluminium current collector; replacing LiPF6 with more stable lithium salts may diminish transition metal dissolution but unfortunately encounters severe aluminium oxidation. Here we report an electrolyte design that can solve this dilemma. By mixing a stable lithium salt LiN(SO2F)2 with dimethyl carbonate solvent at extremely high concentrations, we obtain an unusual liquid showing a three-dimensional network of anions and solvent molecules that coordinate strongly to Li(+) ions. This simple formulation of superconcentrated LiN(SO2F)2/dimethyl carbonate electrolyte inhibits the dissolution of both aluminium and transition metal at around 5 V, and realizes a high-voltage LiNi0.5Mn1.5O4/graphite battery that exhibits excellent cycling durability, high rate capability and enhanced safety.},
  file = {/Users/shyue/Zotero/storage/EVYBFF4N/2016 - Wang et al. - Nature Communications.pdf},
  journal = {Nature Communications},
  number = {May},
  pmid = {25246403}
}

@article{wangTEMStudyElectrochemical1999,
  title = {{{TEM Study}} of {{Electrochemical Cycling}}-{{Induced Damage}} and {{Disorder}} in {{LiCoO2 Cathodes}} for {{Rechargeable Lithium Batteries}}},
  author = {Wang, Haifeng and Jang, Young-il and Huang, Biying and Sadoway, Donald R and Chiang, Yet-ming},
  year = {1999},
  volume = {146},
  pages = {473--480},
  abstract = {Density functional theory is used to study the interaction of Li+ cation with ethylene carbonate (EC) and propylene carbonate (PC) comparatively, which are the most popular solvents used in lithium-ion battery composite. In our theoretical calculations, we use DFT hybrid parameter B3LYP5 with a basis set 6\textendash 31G** by means of PCGAMESS/Firefly software package. We analyze the optimized structures of EC, PC, and their clusters including lithium-ion. We then calculate solvation energy, desolvation energy, electron affinity, Gibbs free energy, heats of formation of Li+ solvated by EC and PC, and the charge on Li+. From the above analysis, we observe EC as a better solvent than PC in applications of lithium-ion batteries.},
  file = {/Users/shyue/Zotero/storage/AEZD2ZFY/1999 - Wang et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {2}
}

@article{wangTransferableMachinelearningFramework2019,
  title = {A Transferable Machine-Learning Framework Linking Interstice Distribution and Plastic Heterogeneity in Metallic Glasses},
  author = {Wang, Qi and Jain, Anubhav},
  year = {2019},
  month = dec,
  volume = {10},
  pages = {5537},
  issn = {2041-1723},
  doi = {10.1038/s41467-019-13511-9},
  file = {/Users/shyue/Zotero/storage/ZHF32JRX/Wang and Jain - 2019 - A transferable machine-learning framework linking .pdf},
  journal = {Nature Communications},
  language = {en},
  number = {1}
}

@article{wangUnderstandingVolumeChange2007,
  title = {Understanding {{Volume Change}} in {{Lithium}}-{{Ion Cells}} during {{Charging}} and {{Discharging Using In Situ Measurements}}},
  author = {Wang, Xianming and Sone, Yoshitsugu and Segami, Go and Naito, Hitoshi and Yamada, Chisa and Kibe, Koichi},
  year = {2007},
  volume = {154},
  pages = {A14},
  issn = {00134651},
  doi = {10.1149/1.2386933},
  abstract = {Because structural change in lithium cobalt oxide ?LiCoO2? cathode is primarily responsible for the performance degradation of lithium-ion cells in simulated satellite operation, it is important to investigate the operating-condition effect on cell-volume change. In this work, we used in situ strain-gauge measurement to probe the total volume change during charging and discharging of five 50 Ah-class lithium-ion cells with graphite anodes and LiCoO2 cathodes. Some interesting phenomena concerning the correlation of the taper voltage with the strain change at the end of the charge were found in the strain trend curve. To explain these phenomena, we examined the strain change of a commercial 0.65 Ah-class lithium-ion polymer cell with the same electrodes as a function of taper voltage by using in situ load-cell measurement and were able to deduce that the cell-volume change during charging correlated to the structure transition of the LiCoO2 cathode from the initial hexagonal phase ?H1? to a new hexagonal phase ?H2? at a taper voltage near 4.00 V.We conclude that the taper voltage should be maintained below 4.00 V to maximize the cycle life of lithium-ion cells with graphite anodes and LiCoO2 cathodes during practical satellite operation.},
  file = {/Users/shyue/Zotero/storage/LB4D7A2N/2007 - Wang et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {1}
}

@article{wangZerostrainLayeredMetal2013,
  title = {A Zero-Strain Layered Metal Oxide as the Negative Electrode for Long-Life Sodium-Ion Batteries.},
  author = {Wang, Yuesheng and Yu, Xiqian and Xu, Shuyin and Bai, Jianming and Xiao, Ruijuan and Hu, Yong-Sheng and Li, Hong and Yang, Xiao-Qing and Chen, Liquan and Huang, Xuejie},
  year = {2013},
  month = aug,
  volume = {4},
  pages = {2365},
  issn = {2041-1723},
  doi = {10.1038/ncomms3365},
  abstract = {Room-temperature sodium-ion batteries have shown great promise in large-scale energy storage applications for renewable energy and smart grid because of the abundant sodium resources and low cost. Although many interesting positive electrode materials with acceptable performance have been proposed, suitable negative electrode materials have not been identified and their development is quite challenging. Here we introduce a layered material, P2-Na0.66[Li0.22Ti0.78]O2, as the negative electrode, which exhibits only {$\sim$}0.77\% volume change during sodium insertion/extraction. The zero-strain characteristics ensure a potentially long cycle life. The electrode material also exhibits an average storage voltage of 0.75 V, a practical usable capacity of ca. 100 mAh g(-1), and an apparent Na(+) diffusion coefficient of 1 \texttimes{} 10(-10) cm(-2) s(-1) as well as the best cyclability for a negative electrode material in a half-cell reported to date. This contribution demonstrates that P2-Na0.66[Li0.22Ti0.78]O2 is a promising negative electrode material for the development of rechargeable long-life sodium-ion batteries.},
  file = {/Users/shyue/Zotero/storage/5T4ZTD4W/2013 - Wang et al. - Nature communications.pdf},
  journal = {Nature communications},
  pmid = {23978932}
}

@article{wardGeneralpurposeMachineLearning2016,
  title = {A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials},
  author = {Ward, Logan and Agrawal, Ankit and Choudhary, Alok and Wolverton, Christopher},
  year = {2016},
  volume = {2},
  pages = {16028},
  issn = {2057-3960},
  doi = {10.1038/npjcompumats.2016.28},
  abstract = {A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications, many more applications exist where machine learning can make a strong impact. To enable faster development of machine-learning-based models for such applications, we have created a framework capable of being applied to a broad range of materials data. Our method works by using a chemically diverse list of attributes, which we demonstrate are suitable for describing a wide variety of properties, and a novel method for partitioning the data set into groups of similar materials in order to boost the predictive accuracy. In this manuscript, we demonstrate how this new method can be used to predict diverse properties of crystalline and amorphous materials, such as band gap energy and glass-forming ability.},
  file = {/Users/shyue/Zotero/storage/U5HD4UPF/2016 - Ward et al. - npj Computational Materials.pdf},
  journal = {npj Computational Materials},
  number = {1}
}

@article{waroquiersStatisticalAnalysisCoordination2017,
  title = {Statistical Analysis of Coordination Environments in {{Oxides}}},
  author = {Waroquiers, David and Gonze, Xavier and Rignanese, Gian Marco and {Welker-Nieuwoudt}, Cathrin and Rosowski, Frank and G{\"o}bel, Michael and Schenk, Stephan and Degelmann, Peter and Andr{\'e}, Rute and Glaum, Robert and Hautier, Geoffroy},
  year = {2017},
  volume = {29},
  pages = {8346--8360},
  issn = {15205002},
  doi = {10.1021/acs.chemmater.7b02766},
  abstract = {Coordination or local environments (e.g., tetrahedra and octahedra) are powerful descriptors of the crystalline structure of materials. These structural descriptors are essential to the understanding of crystal chemistry and the design of new materials. However, extensive statistics on the occurence of local environment are not available even on common chemistries such as oxides. Here, we present the first large-scale statistical analysis of the coordination environments of cations in oxides using a large set of experimentally observed compounds (about 8,000). Using a newly developed method, we provide the distribution of local environment for each cation in oxides. We discuss our results highlighting previously know trends, unexpected coordination environments as well as compounds presenting very rare coordinations. Our work complements the know-how of the solid state chemist with a statistically sound analysis and pave the way for further data mining efforts linking for instance coordination environment...},
  file = {/Users/shyue/Zotero/storage/7LDFV6DA/2017 - Waroquiers et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {19}
}

@article{weberLongCycleLife2019,
  title = {Long Cycle Life and Dendrite-Free Lithium Morphology in Anode-Free Lithium Pouch Cells Enabled by a Dual-Salt Liquid Electrolyte},
  author = {Weber, Rochelle and Genovese, Matthew and Louli, A. J. and Hames, Samuel and Martin, Cameron and Hill, Ian G. and Dahn, J. R.},
  year = {2019},
  month = jul,
  pages = {1--7},
  issn = {2058-7546},
  doi = {10.1038/s41560-019-0428-9},
  abstract = {Extensive efforts have recently been geared towards developing all-solid-state batteries largely because of their potential to enable high-energy-density Li anodes. Here, the authors report a high-performance lithium pouch cell with no excess lithium, enabled by just a dual-salt liquid electrolyte.},
  copyright = {2019 The Author(s), under exclusive licence to Springer Nature Limited},
  file = {/Users/shyue/Zotero/storage/EBPRGB38/Weber et al. - 2019 - Long cycle life and dendrite-free lithium morpholo.pdf;/Users/shyue/Zotero/storage/XIZK7VRK/s41560-019-0428-9.html},
  journal = {Nature Energy},
  language = {en}
}

@article{wehrenbergSituXrayDiffraction2017,
  title = {In Situ {{X}}-Ray Diffraction Measurement of Shock-Wave-Driven Twinning and Lattice Dynamics},
  author = {Wehrenberg, C. E. and McGonegle, D. and Bolme, C. and Higginbotham, A. and Lazicki, A. and Lee, H. J. and Nagler, B. and Park, H.-S. and Remington, B. A. and Rudd, R. E. and Sliwa, M. and Suggit, M. and Swift, D. and Tavella, F. and {Zepeda-Ruiz}, L. and Wark, J. S.},
  year = {2017},
  month = oct,
  volume = {550},
  pages = {496--499},
  issn = {0028-0836},
  doi = {10.1038/nature24061},
  file = {/Users/shyue/Zotero/storage/6VU9XGRZ/2017 - Wehrenberg et al. - Nature.pdf},
  journal = {Nature},
  number = {7677}
}

@article{weiChemicalTrendsDefect2002,
  title = {Chemical Trends of Defect Formation and Doping Limit in {{II}}-{{VI}} Semiconductors: {{The}} Case of {{CdTe}}},
  author = {Wei, Su-Huai and Zhang, S.},
  year = {2002},
  volume = {66},
  pages = {1--10},
  issn = {0163-1829},
  doi = {10.1103/PhysRevB.66.155211},
  abstract = {Using first-principles band structure methods we studied the general chemical trends of defect formation in II-VI semiconductors. We systematically calculated the formation energies and transition energy levels of intrinsic and extrinsic defects and defect complexes in the prototype CdTe and investigated the limiting factors for p-type and n-type doping in this material. Possible approaches to significantly increase the doping limits are discussed. Our general understanding of the chemical trends of defect formation energies and transition energy levels in CdTe is expected to be applicable also to other II-VI semiconductors.},
  file = {/Users/shyue/Zotero/storage/G66PR8TA/2002 - Wei, Zhang - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {15}
}

@article{weiKineticsTuningLiIon2015,
  title = {Kinetics {{Tuning}} of {{Li}}-{{Ion Diffusion}} in {{Layered Li}}({{Ni}} x {{Mn}} y {{Co}} z ){{O}} 2},
  author = {Wei, Yi and Zheng, Jiaxin and Cui, Suihan and Song, Xiaohe and Su, Yantao and Deng, Wenjun and Wu, Zhongzhen and Wang, Xinwei and Wang, Weidong and Rao, Mumin and Lin, Yuan and Wang, Chongmin and Amine, Khalil and Pan, Feng},
  year = {2015},
  month = jul,
  volume = {137},
  pages = {8364--8367},
  issn = {0002-7863},
  doi = {10.1021/jacs.5b04040},
  file = {/Users/shyue/Zotero/storage/6IY5BIMX/2015 - Wei et al. - Journal of the American Chemical Society.pdf},
  journal = {Journal of the American Chemical Society},
  number = {26}
}

@article{weiNb2O5NanobeltsLithium2008,
  title = {{{Nb2O5}} Nanobelts: {{A}} Lithium Intercalation Host with Large Capacity and High Rate Capability},
  author = {Wei, Mingdeng and Wei, Kemei and Ichihara, Masaki and Zhou, Haoshen},
  year = {2008},
  volume = {10},
  pages = {980--983},
  issn = {13882481},
  doi = {10.1016/j.elecom.2008.04.031},
  abstract = {In this study, Nb2O5 nanobelts, with a ca. ???15 nm in thickness, ca. ???60 nm in width and several tens of mircrometers in length, have first been used as the electrode material for lithium intercalation over the potential window of 3.0-1.2 V (vs. Li+/Li). It delivers an initial intercalation capacity of 250 mA hg-1 at 0.1 Ag-1 current density, corresponding to x = 2.5 for LxNb2O5, and can still keep relative stable and reaches as large as 180 mA hg-1 after 50 cycles. Surprisingly, the electrodes composed of Nb2O5 nanobelts can work smoothly even at high current density of 10 Ag-1, and shows higher specific capacity and excellent cycling stable, as well as sloped feature in voltage profile. Cycling test indicates Nb2O5 nanobelts electrode shows a high reversible charge/discharge capacity, high rate capability with excellent cycling stability. ?? 2008 Elsevier B.V. All rights reserved.},
  file = {/Users/shyue/Zotero/storage/GSVFE3QU/2008 - Wei et al. - Electrochemistry Communications.pdf},
  journal = {Electrochemistry Communications},
  keywords = {Electrochemical behavior,Lithium intercalation,Nb2O5 nanobelts},
  number = {7}
}

@article{weinbergerComputationalInvestigationMicrostructures2018,
  title = {A Computational Investigation into the Microstructures and Stability of the Zeta Phase in Transition Metal Carbides and Nitrides},
  author = {Weinberger, Christopher R. and Yu, Hang and Wang, Billie and Thompson, Gregory B.},
  year = {2018},
  month = oct,
  volume = {117},
  pages = {s26-s33},
  issn = {1743-6753, 1743-6761},
  doi = {10.1080/17436753.2018.1510818},
  abstract = {A high-volume fraction of the zeta phase in multiphase group VB transition metal tantalum carbides has been shown to dramatically increase fracture toughness. This has been attributed to its unique nanoscale lath-based microstructure. However, what governs the microstructure and how it forms is still not well understood. In this paper, we propose a precipitation model for the formation of these phases and demonstrate that the anisotropic surface energies govern the observed zeta-phase morphology. The energetics and zetaphase microstructure for other group VB carbides were found to be similar. In contrast, multiphase hafnium nitrides can form both thin-lath-based microstructure as well as large, single zeta-phase grains. The difference between hafnium nitride and the group VB carbides is attributed to the relative bulk free energies and low-temperature stability between the phases.},
  file = {/Users/shyue/Zotero/storage/BF3F8J8C/Weinberger et al. - 2018 - A computational investigation into the microstruct.pdf},
  journal = {Advances in Applied Ceramics},
  language = {en},
  number = {sup1}
}

@article{weinbergerReviewPhaseStability2018,
  title = {Review of Phase Stability in the Group {{IVB}} and {{VB}} Transition-metal Carbides},
  author = {Weinberger, Christopher R. and Thompson, Gregory B.},
  year = {2018},
  month = oct,
  volume = {101},
  pages = {4401--4424},
  issn = {0002-7820, 1551-2916},
  doi = {10.1111/jace.15768},
  abstract = {This review summarizes the phase stability in the group IVB (Ti-C; Zr-C; Hf-C) and group VB (V-C; Nb-C; Ta-C) transition-metal carbides. The order parameter functional (OPF) method and density functional theory (DFT) method have been used to predict phase equilibria in these systems. Extensive experimental investigations have attempted to determine both phase stability as a function of composition as well the crystal structures present using X-ray diffraction, neutron diffraction, electron backscatter detection, and selected area electron diffraction. These investigations have demonstrated that the structures that form are based on the close-packing of the metal atoms and the arrangement of the carbon atoms in the octahedral interstices. In general, the rocksalt B1 phase is stable for all of the transition-metal carbides, with their substoichiometry tolerance increasing with temperature; vanadium carbide is the exception due to its negative vacancy formation energy. Vacancy-ordered M6C5 phases have been predicted and experimentally confirmed in both groups of carbides; however, kinetic limitations often inhibit the formation of vacancy-ordered phases, which has contributed to controversy in phase identification. The vacancy-ordered M4C3 phase has been predicted for select carbides and has only been observed in zirconium carbide. In contrast, the stacking fault phase f-M4C3\`Ax has been readily reported in the group VB carbides (but not in the group IVB carbides). The vacancy-ordered M3C2 has been predicted by DFT for the group IVB carbides but not in the group VB carbides, whereas OPF predicts its stability in both carbides. Vacancy-ordered M3C2 phases have been experimentally observed in the Ti-C and Hf-C systems. Finally, the M2C phase has been predicted in both group carbides, except for hafnium carbide, with an order-disorder transition with temperature. These factors result in phase diagrams that are similar among all the carbides, but each phase diagram is unique due to subtle differences in bonding that result in slight differences in thermodynamically stable phases.},
  file = {/Users/shyue/Zotero/storage/MHMTTRC3/Weinberger and Thompson - 2018 - Review of phase stability in the group IVB and VB .pdf},
  journal = {Journal of the American Ceramic Society},
  language = {en},
  number = {10}
}

@article{weiNeuralNetworksPrediction2016,
  title = {Neural Networks for the Prediction of Organic Chemistry Reactions},
  author = {Wei, Jennifer N. and Duvenaud, David and {Aspuru-Guzik}, Al{\'a}n},
  year = {2016},
  volume = {2},
  pages = {725--732},
  issn = {23747951},
  doi = {10.1021/acscentsci.6b00219},
  abstract = {Reaction prediction remains one of the major challenges for organic chemistry and is a prerequisite for efficient synthetic planning. It is desirable to develop algorithms that, like humans, "learn" from being exposed to examples of the application of the rules of organic chemistry. We explore the use of neural networks for predicting reaction types, using a new reaction fingerprinting method. We combine this predictor with SMARTS transformations to build a system which, given a set of reagents and reactants, predicts the likely products. We test this method on problems from a popular organic chemistry textbook.},
  file = {/Users/shyue/Zotero/storage/C9DZ265W/2016 - Wei, Duvenaud, Aspuru-Guzik - ACS Central Science.pdf},
  journal = {ACS Central Science},
  number = {10},
  pmid = {27800555}
}

@article{weingartnerStaticDielectricConstant2006,
  title = {The Static Dielectric Constant of Ionic Liquids},
  author = {Weingartner, H},
  year = {2006},
  volume = {220},
  pages = {1395--1405},
  file = {/Users/shyue/Zotero/storage/XSACEIFL/2006 - Weingartner - Zeitschrift fur Physikalische Chemie.pdf},
  journal = {Zeitschrift fur Physikalische Chemie}
}

@article{wellendorffDensityFunctionalsSurface2012,
  title = {Density Functionals for Surface Science: {{Exchange}}-Correlation Model Development with {{Bayesian}} Error Estimation},
  shorttitle = {Density Functionals for Surface Science},
  author = {Wellendorff, Jess and Lundgaard, Keld T. and M{\o}gelh{\o}j, Andreas and Petzold, Vivien and Landis, David D. and N{\o}rskov, Jens K. and Bligaard, Thomas and Jacobsen, Karsten W.},
  year = {2012},
  month = jun,
  volume = {85},
  pages = {235149},
  doi = {10.1103/PhysRevB.85.235149},
  abstract = {A methodology for semiempirical density functional optimization, using regularization and cross-validation methods from machine learning, is developed. We demonstrate that such methods enable well-behaved exchange-correlation approximations in very flexible model spaces, thus avoiding the overfitting found when standard least-squares methods are applied to high-order polynomial expansions. A general-purpose density functional for surface science and catalysis studies should accurately describe bond breaking and formation in chemistry, solid state physics, and surface chemistry, and should preferably also include van der Waals dispersion interactions. Such a functional necessarily compromises between describing fundamentally different types of interactions, making transferability of the density functional approximation a key issue. We investigate this trade-off between describing the energetics of intramolecular and intermolecular, bulk solid, and surface chemical bonding, and the developed optimization method explicitly handles making the compromise based on the directions in model space favored by different materials properties. The approach is applied to designing the Bayesian error estimation functional with van der Waals correlation (BEEF\textendash vdW), a semilocal approximation with an additional nonlocal correlation term. Furthermore, an ensemble of functionals around BEEF\textendash vdW comes out naturally, offering an estimate of the computational error. An extensive assessment on a range of data sets validates the applicability of BEEF\textendash vdW to studies in chemistry and condensed matter physics. Applications of the approximation and its Bayesian ensemble error estimate to two intricate surface science problems support this.},
  file = {/Users/shyue/Zotero/storage/DQ8ELUNF/Wellendorff et al. - 2012 - Density functionals for surface science Exchange-.pdf;/Users/shyue/Zotero/storage/DJKEK9LL/PhysRevB.85.html},
  journal = {Physical Review B},
  number = {23}
}

@article{wenEnhancedElectrochemicalProperties2015,
  title = {Enhanced Electrochemical Properties of Vanadium-Doped Titanium Niobate as a New Anode Material for Lithium-Ion Batteries},
  author = {Wen, Xiaoyan and Ma, Chenxiang and Du, Chenqiang and Liu, Jie and Zhang, Xinhe and Qu, Deyang and Tang, Zhiyuan},
  year = {2015},
  volume = {186},
  pages = {58--63},
  issn = {00134686},
  doi = {10.1016/j.electacta.2015.10.158},
  abstract = {The Vanadium-doped TiNb2O7 (TNO) samples have been investigated as novel anode active materials for application in lithium-ion batteries. The samples are characterized by X-ray diffraction patterns (XRD), raman spectrum, scanning electron microscopy (SEM), transmission electron microscopy (TEM), galvanostatic charge-discharge tests, and cyclic voltammetry (CV) tests. The XRD results indicate that V-doping expands the lattice parameters of TiNb2O7 samples and facilitates the enhanced lithium ion diffusion. SEM and TEM results show that lattice expansion caused by V-doping doesn't significantly change the particle size distribution of TiNb2O7 samples. The electrochemical measurements indicate that the TiNb1.98V0.02O7 anode material displays a highly reversible capacity and excellent cycling stability. The initial discharge capacities of TiNb1.98V0.02O7 are 298.48 mAh g-1 and 171.99 mAh g-1 at 0.3C and 10C, respectively, indicating that the TiNb1.98V0.02O7 material can be utilized as a promising anode material for lithium-ion batteries.},
  file = {/Users/shyue/Zotero/storage/P85I76LS/2015 - Wen et al. - Electrochimica Acta.pdf},
  journal = {Electrochimica Acta},
  keywords = {Anode material,Lithium-ion batteries,Solid state method,Titanium niobate,Vanadium-doping}
}

@article{wengSimpleDescriptorDerived2020,
  title = {Simple Descriptor Derived from Symbolic Regression Accelerating the Discovery of New Perovskite Catalysts},
  author = {Weng, Baicheng and Song, Zhilong and Zhu, Rilong and Yan, Qingyu and Sun, Qingde and Grice, Corey G. and Yan, Yanfa and Yin, Wan-Jian},
  year = {2020},
  month = dec,
  volume = {11},
  pages = {3513},
  issn = {2041-1723},
  doi = {10.1038/s41467-020-17263-9},
  file = {/Users/shyue/Zotero/storage/KRLYNHSN/Weng et al. - 2020 - Simple descriptor derived from symbolic regression.pdf;/Users/shyue/Zotero/storage/UKKGYIXF/Weng et al. - 2020 - Simple descriptor derived from symbolic regression.pdf},
  journal = {Nature Communications},
  language = {en},
  number = {1}
}

@article{wenMainChallengesHigh2012,
  title = {Main {{Challenges}} for {{High Performance NAS Battery}}: {{Materials}} and {{Interfaces}}},
  author = {Wen, Zhaoyin and Hu, Yingying and Wu, Xiangwei and Han, Jinduo and Gu, Zhonghua},
  year = {2012},
  month = may,
  pages = {n/a--n/a},
  issn = {1616301X},
  doi = {10.1002/adfm.201200473},
  file = {/Users/shyue/Zotero/storage/L8UALDPU/2012 - Wen et al. - Advanced Functional Materials.pdf},
  journal = {Advanced Functional Materials}
}

@article{wenMolybdenumSubstitutedVanadyl2016,
  title = {Molybdenum {{Substituted Vanadyl Phosphate}} {$\epsilon$}-{{VOPO4}} with {{Enhanced Two}}-{{Electron Transfer Reversibility}} and {{Kinetics}} for {{Lithium}}-{{Ion Batteries}}},
  author = {Wen, Bohua and Wang, Qi and Lin, Yuhchieh and Chernova, Natasha A. and Karki, Khim and Chung, Youngmin and Omenya, Fredrick and Sallis, Shawn and Piper, Louis F. J. and Ong, Shyue Ping and Whittingham, M. Stanley},
  year = {2016},
  month = may,
  volume = {28},
  pages = {3159--3170},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.6b00891},
  abstract = {We have investigated the possibility of molybdenum substitution into {$\epsilon$}-VOPO 4 structure and its effects on the electrochemical performance of this material as a cathode in Li-ion battery. We have found that up to 5\% of Mo can substitute V upon hydrothermal synthesis at 180 \textdegree C with further annealing at 550 \textdegree C. The substitution is confirmed by the increase of the unit cell volume with Mo content. A combination of X-ray absorption and photoelectron spectroscopy, magnetic studies, and density functional theory calculations indicates an Mo 6+ oxidation state which is charge compensated by reduction of the same amount of V to 4+. Mo- substituted samples show much smaller particle size as compared to unsubstituted {$\epsilon$}-VOPO4 and significantly improved electrochemical behavior. {$\epsilon$}-V0.95Mo0.05OPO4 shows the initial reversible capacity {$\sim$}250 mAh/g ({$\sim$}1.6 Li) and {$\sim$}80\% retention for up to 20 cycles at C/25. Sloping voltage profile, faster kinetics, and lower voltage hysteresis of Mo substituted VOPO4 are demonstrated by the galvanostatic intermittent titration technique. This enhanced electrochemical performance is attributed to the smaller particles and possible existence of partial LixMoyV1-yOPO4 solid solution supported by X-ray diffraction, which leads to less abrupt and completely reversible structure changes upon Li cycling evidenced by X-ray absorption spectroscopy.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/8XFBHAG7/2016 - Wen et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {9}
}

@article{wenUltrafastIonTransport2020,
  title = {Ultrafast Ion Transport at a Cathode-Electrolyte Interface and Its Strong Dependence on Salt Solvation},
  author = {Wen, Bohua and Deng, Zhi and Tsai, Ping-Chun and {Lebens-Higgins}, Zachary W. and Piper, Louis F J and Ong, Shyue Ping and Chiang, Yet-Ming},
  year = {2020},
  month = jun,
  pages = {9},
  doi = {10.1038/s41560-020-0647-0},
  abstract = {To access the full performance potential of advanced batteries, electrodes and electrolytes must be designed to facilitate ion transport at all applicable length scales. Here, we perform electrodynamic measurements on single electrode particles of \textasciitilde 6 nAh capacity, decouple bulk and interfacial transport from other pathways and show that Li intercalation into LiNi0.33 Mn0.33 Co0.33 O2  (NMC333) is primarily impeded by interfacial kinetics when using a conventional LiPF 6 salt. Electrolytes containing LiTFSI salt, with or without LiPF6 , exhibit about 100-fold higher exchange current density under otherwise identical conditions. This anion group effect is explained using molecular dynamics simulations to identify preferred solvation structures, density functional theory calculations of their binding energies and Raman spectroscopy confirmation of solvation structure. We show that TFSI preferentially solvates Li + compared to PF6 - , and yet its preferred solvation structures provide a lower Li + binding energy, suggesting a lower desolvation energy consistent with ultrafast interfacial kinetics.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/GKAY7UWG/Wen - Ultrafast ion transport at a cathode–electrolyte i.pdf},
  journal = {Nature Energy},
  language = {en}
}

@article{wenzelDirectObservationInterfacial2016,
  title = {Direct {{Observation}} of the {{Interfacial Instability}} of the {{Fast Ionic Conductor Li}} 10 {{GeP}} 2 {{S}} 12 at the {{Lithium Metal Anode}}},
  author = {Wenzel, Sebastian and Randau, Simon and {Leichtwei{\textbackslash}s s}, Thomas and Weber, Dominik A. and Sann, Joachim and Zeier, Wolfgang G. and Janek, J{\"u}rgen},
  year = {2016},
  month = apr,
  volume = {28},
  pages = {2400--2407},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.6b00610},
  file = {/Users/shyue/Zotero/storage/PQNAQK46/2016 - Wenzel et al. - Chemistry of Materials(2).pdf},
  journal = {Chemistry of Materials},
  number = {7}
}

@article{wenzelInterfacialReactivityBenchmarking2016,
  title = {Interfacial {{Reactivity Benchmarking}} of the {{Sodium Ion Conductors Na3PS4}} and {{Sodium}} ??-{{Alumina}} for {{Protected Sodium Metal Anodes}} and {{Sodium All}}-{{Solid}}-{{State Batteries}}},
  author = {Wenzel, Sebastian and Leichtweiss, Thomas and Weber, Dominik A. and Sann, Joachim and Zeier, Wolfgang G. and Janek, J??rgen},
  year = {2016},
  volume = {8},
  pages = {28216--28224},
  issn = {19448252},
  doi = {10.1021/acsami.6b10119},
  file = {/Users/shyue/Zotero/storage/H3KVPFNS/2016 - Wenzel et al. - ACS Applied Materials and Interfaces.pdf},
  journal = {ACS Applied Materials and Interfaces},
  keywords = {alkali metal,interface stability,Na3PS4,sodium-ion conductor,solid electrolyte interphase,solid-state batteries},
  number = {41}
}

@article{wenzelInterfacialReactivityInterphase2017,
  title = {Interfacial Reactivity and Interphase Growth of Argyrodite Solid Electrolytes at Lithium Metal Electrodes},
  author = {Wenzel, Sebastian and Sedlmaier, Stefan J. and Dietrich, Christian and Zeier, Wolfgang G. and Janek, Juergen},
  year = {2017},
  pages = {1--10},
  issn = {01672738},
  doi = {10.1016/j.ssi.2017.07.005},
  abstract = {Lithium superionic conductors with the argyrodite structure Li6PS5X (X=Cl, Br, I) are considered as suitable candidates for the fabrication of all-solid-state batteries (SSB) facilitating Li metal anodes. The use of metal anodes is required to achieve SSB with high energy densities, however, the thermodynamic stability of the different argyrodites in contact with Li metal has not been systematically investigated yet. The stability against lithium metal is of practical interest for long-term stability of SSB utilizing argyrodites. Here, data on the stability of Li6PS5X (X=Cl, Br, I) in contact with Li metal are reported, obtained from an in situ X-ray photoemission technique in combination with time-resolved impedance spectroscopy. In contact with Li metal, Li6PS5X decomposes into an interphase composed of Li3P, Li2S and LiX, which serves as an SEI and results in an increasing interfacial resistance. The growth of the SEI and the resulting resistance evolution is further analyzed in terms of its kinetics and is compared to other thiophosphate superionic conductors. Li6PS5I is found to show particularly strong SEI formation with severe resistance growth.},
  file = {/Users/shyue/Zotero/storage/5PQ57C9T/2017 - Wenzel et al. - Solid State Ionics.pdf},
  journal = {Solid State Ionics},
  keywords = {Argyrodite,Interface stability,lithium solid electrolyte,Lithium solid electrolyte,Solid electrolyte interface,solid-state batteries,Solid-state batteries},
  number = {July}
}

@article{wenzelInterphaseFormationDegradation2016,
  title = {Interphase Formation and Degradation of Charge Transfer Kinetics between a Lithium Metal Anode and Highly Crystalline {{Li7P3S11}} Solid Electrolyte},
  author = {Wenzel, Sebastian and Weber, Dominik A. and Leichtweiss, Thomas and Busche, Martin R. and Sann, Joachim and Janek, J{\"u}rgen},
  year = {2016},
  volume = {286},
  pages = {24--33},
  issn = {01672738},
  doi = {10.1016/j.ssi.2015.11.034},
  file = {/Users/shyue/Zotero/storage/4XZTHTZQ/2016 - Wenzel et al. - Solid State Ionics(2).pdf;/Users/shyue/Zotero/storage/NUCTDIG3/2016 - Wenzel et al. - Solid State Ionics.pdf},
  journal = {Solid State Ionics},
  keywords = {In situ XPS,Interphase formation,Li7P3S11,Lithium anode,SEI,Solid state battery}
}

@article{wenzelRoomtemperatureSodiumionBatteries2011,
  title = {Room-Temperature Sodium-Ion Batteries: {{Improving}} the Rate Capability of Carbon Anode Materials by Templating Strategies},
  author = {Wenzel, Sebastian and Hara, Takeshi and Janek, J{\"u}rgen and Adelhelm, Philipp},
  year = {2011},
  month = jul,
  volume = {4},
  pages = {3342},
  issn = {1754-5692},
  journal = {Energy \& Environmental Science},
  language = {en},
  number = {9}
}

@article{wessellsEffectInsertionSpecies2012,
  title = {The {{Effect}} of {{Insertion Species}} on {{Nanostructured Open Framework Hexacyanoferrate Battery Electrodes}}},
  author = {Wessells, Colin D. and Peddada, Sandeep V. and McDowell, Matthew T. and a. Huggins, Robert and Cui, Yi},
  year = {2012},
  volume = {159},
  pages = {A98},
  issn = {00134651},
  file = {/Users/shyue/Zotero/storage/58KZDV94/2012 - Wessells et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {2}
}

@article{wessellsNickelHexacyanoferrateNanoparticle2011,
  title = {Nickel {{Hexacyanoferrate Nanoparticle Electrodes For Aqueous Sodium}} and {{Potassium Ion Batteries}}.},
  author = {Wessells, Colin D and Peddada, Sandeep V and Huggins, Robert A and Cui, Yi},
  year = {2011},
  month = nov,
  volume = {11},
  pages = {5421--5425},
  issn = {1530-6992},
  abstract = {The electrical power grid faces a growing need for large-scale energy storage over a wide range of time scales due to costly short-term transients, frequency regulation, and load balancing. The durability, high power, energy efficiency, and low cost needed for grid-scale storage pose substantial challenges for conventional battery technology. (1, 2) Here, we demonstrate insertion/extraction of sodium and potassium ions in a low-strain nickel hexacyanoferrate electrode material for at least five thousand deep cycles at high current densities in inexpensive aqueous electrolytes. Its open-framework structure allows retention of 66\% of the initial capacity even at a very high (41.7C) rate. At low current densities, its round trip energy efficiency reaches 99\%. This low-cost material is readily synthesized in bulk quantities. The long cycle life, high power, good energy efficiency, safety, and inexpensive production method make nickel hexacyanoferrate an attractive candidate for use in large-scale batteries to support the electrical grid.},
  journal = {Nano letters},
  number = {12}
}

@article{westChemicalStabilityEnhancement2004,
  title = {Chemical Stability Enhancement of Lithium Conducting Solid Electrolyte Plates Using Sputtered {{LiPON}} Thin Films},
  author = {West, W.C and Whitacre, J.F and Lim, J.R},
  year = {2004},
  month = feb,
  volume = {126},
  pages = {134--138},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2003.08.030},
  file = {/Users/shyue/Zotero/storage/4KDIYNT6/2004 - West, Whitacre, Lim - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  keywords = {cpe,lipon},
  number = {1-2}
}

@article{westphalAbsoluteSolvationFree2005,
  title = {Absolute Solvation Free Energy of {{Li}}+ and {{Na}}+ Ions in Dimethyl Sulfoxide Solution: A Theoretical Ab Initio and Cluster-Continuum Model Study.},
  author = {Westphal, Eduard and Pliego, Josefredo R},
  year = {2005},
  month = aug,
  volume = {123},
  pages = {074508},
  issn = {0021-9606},
  doi = {10.1063/1.2001632},
  abstract = {The solvation of the lithium and sodium ions in dimethyl sulfoxide solution was theoretically investigated using ab initio calculations coupled with the hybrid cluster-continuum model, a quasichemical theory of solvation. We have investigated clusters of ions with up to five dimethyl sulfoxide (DMSO) molecules, and the bulk solvent was described by a dielectric continuum model. Our results show that the lithium and sodium ions have four and five DMSO molecules into the first coordination shell, and the calculated solvation free energies are -135.5 and -108.6 kcal mol(-1), respectively. These data suggest a solvation free energy value of -273.2 kcal mol(-1) for the proton in dimethyl sulfoxide solution, a value that is more negative than the present uncertain experimental value. This and previous studies on the solvation of ions in water solution indicate that the tetraphenylarsonium tetraphenylborate assumption is flawed and the absolute value of the free energy of transfer of ions from water to DMSO solution is higher than the present experimental values.},
  file = {/Users/shyue/Zotero/storage/BFY4DEWE/2005 - Westphal, Pliego - The Journal of chemical physics.pdf},
  journal = {The Journal of chemical physics},
  number = {7},
  pmid = {16229602}
}

@article{whitacreNa4Mn9O18PositiveElectrode2010,
  title = {{{Na4Mn9O18}} as a Positive Electrode Material for an Aqueous Electrolyte Sodium-Ion Energy Storage Device},
  author = {Whitacre, J.F. and Tevar, A. and Sharma, S.},
  year = {2010},
  month = mar,
  volume = {12},
  pages = {463--466},
  issn = {13882481},
  doi = {10.1016/j.elecom.2010.01.020},
  abstract = {Here we demonstrate Na4Mn9O18 as a sodium intercalation positive electrode material for an aqueous electrolyte energy storage device. A simple solid-state synthesis route was used to produce this material, which was then tested electrochemically in a 1 M Na2SO4 electrolyte against an activated carbon counter electrode using cyclic voltammetry and galvanostatic cycling. Optimized Na4Mn9O18 was documented as having a specific capacity of 45 mAh/g through a voltage range of 0.5 V, or an equivalent specific capacitance of over 300 F/g. With the proper negative:positive electrode mass ratio, energy storage cells capable of being charged to at least 1.7 V without significant water electrolysis are documented. Cycling data and rate studies indicate promising performance for this unexplored low-cost positive electrode material.},
  file = {/Users/shyue/Zotero/storage/SWQM6QIL/2010 - Whitacre, Tevar, Sharma - Electrochemistry Communications.pdf},
  journal = {Electrochemistry Communications},
  number = {3}
}

@article{whiteleyEmpoweringLithiumMetal2014,
  title = {Empowering the {{Lithium Metal Battery}} through a {{Silicon}}-{{Based Superionic Conductor}}},
  author = {Whiteley, J. M. and Woo, J. H. and Hu, E. and Nam, K.-W. and Lee, S.-H.},
  year = {2014},
  month = aug,
  volume = {161},
  pages = {A1812--A1817},
  issn = {0013-4651},
  doi = {10.1149/2.0501412jes},
  abstract = {Replacing the liquid electrolyte in a lithium battery with a solid electrolyte can resolve many inherent safety issues as well as enable the use of next generation electrode materials. Recent research in solid electrolytes, however, has mainly focused on improving ionic conductivity while neglecting compatibility with energy dense anodes such as lithium metal. Herein, we report a new crystalline solid electrolyte devised to be inexpensive, highly conductive, and compatible with lithium metal. This study presents and characterizes an analog to Li10GeP2S12 using the isovalent ion of silicon to displace germanium as a cost effective constituent. The crystal Li10SiP2S12 displays a conductivity of 2.3 \texttimes{} 10-3 S cm-1, the highest reported conductivity for an unsintered silicon-based solid electrolyte. Impedance spectroscopy is used to probe interactions between the new superionic conductor and lithium metal revealing a more favorable decomposition than previous metal containing electrolytes. Due to the enhanced compatibility of Li10SiP2S12 with lithium metal, we present one of the longest cycling bulk solid-state lithium metal batteries to date. Discerning the nature of chemical decomposition at the electrolyte-lithium interface is essential to the design and synthesis of future solid electrolytes.},
  file = {/Users/shyue/Zotero/storage/4EHQZJXP/2014 - Whiteley et al. - Journal of the Electrochemical Society(2).pdf},
  journal = {Journal of the Electrochemical Society},
  number = {12}
}

@article{whitesideParticleShapesSurface2014,
  title = {Particle Shapes and Surface Structures of Olivine {{NaFePO}} \textbackslash textlesssub\textbackslash textgreater4\textbackslash textless/Sub\textbackslash textgreater in Comparison to {{LiFePO}} \textbackslash textlesssub\textbackslash textgreater4\textbackslash textless/Sub\textbackslash textgreater},
  author = {Whiteside, Alexander and Fisher, Craig a. J. and Parker, Stephen C. and Saiful Islam, M.},
  year = {2014},
  volume = {16},
  pages = {21788--21794},
  issn = {1463-9076},
  doi = {10.1039/C4CP02356K},
  file = {/Users/shyue/Zotero/storage/LF88NGBW/2014 - Whiteside et al. - Phys. Chem. Chem. Phys.pdf},
  journal = {Phys. Chem. Chem. Phys.},
  number = {39}
}

@article{whittinghamChemistryIntercalationCompounds1978,
  title = {Chemistry of Intercalation Compounds: {{Metal}} Guests in Chalcogenide Hosts},
  author = {Whittingham, M. Stanley},
  year = {1978},
  volume = {12},
  pages = {41--99},
  issn = {00796786},
  doi = {10.1016/0079-6786(78)90003-1},
  file = {/Users/shyue/Zotero/storage/4MZV9345/1978 - Whittingham - Progress in Solid State Chemistry.pdf},
  journal = {Progress in Solid State Chemistry},
  number = {1}
}

@article{whittinghamElectricalEnergyStorage1976,
  title = {Electrical Energy Storage and Intercalation Chemistry.},
  author = {Whittingham, M. Stanley},
  year = {1976},
  month = jun,
  volume = {192},
  pages = {1126--7},
  issn = {0036-8075},
  doi = {10.1126/science.192.4244.1126},
  abstract = {The electrochemical reaction of layered titanium disulfide with lithium giving the intercalation compound lithium titanium disulfide is the basis of a new battery system. This reaction occurs very rapidly and in a highly reversible manner at ambient temperatures as a result of structural retention. Titanium disulfide is one of a new generation of solid cathode materials.},
  file = {/Users/shyue/Zotero/storage/K5QB5JL4/1976 - Whittingham - Science.pdf},
  journal = {Science},
  number = {4244},
  pmid = {17748676}
}

@article{whittinghamHistoryEvolutionFuture2012,
  title = {History, {{Evolution}}, and {{Future Status}} of {{Energy Storage}}},
  author = {Whittingham, M. S.},
  year = {2012},
  volume = {100},
  pages = {1518--1534},
  issn = {0018-9219},
  doi = {10.1109/JPROC.2012.2190170},
  abstract = {Advanced energy storage has been a key enabling technology for the portable electronics explosion. The lithium and Ni-MeH battery technologies are less than 40 years old and have taken over the electronics industry and are on the same track for the transportation industry and the utility grid. In this review, energy storage from the gigawatt pumped hydro systems to the smallest watt-hour battery are discussed, and the future directions predicted. If renewable energy, or even lower cost energy, is to become prevalent energy storage is a critical component in reducing peak power demands and the intermittent nature of solar and wind power. An electric economy will demand more electrification of the transportation sector and it is likely that all vehicles sold by the end of this decade will have some level of hybridization. Energy storage capabilities in conjunction with the smart grid are expected to see a massive leap forward over the next 25 years.},
  file = {/Users/shyue/Zotero/storage/7YBM7LU3/2012 - Whittingham - Proceedings of the IEEE.pdf;/Users/shyue/Zotero/storage/XLK8BPXX/2012 - Whittingham - Proceedings of the IEEE.pdf},
  journal = {Proceedings of the IEEE},
  keywords = {battery,electric economy,energy storage},
  number = {Special Centennial Issue}
}

@article{whittinghamIntercalationLatticeExpansion1975,
  title = {Intercalation and Lattice Expansion in Titanium Disulfide},
  author = {Whittingham, M. Stanley},
  year = {1975},
  month = sep,
  volume = {62},
  pages = {1588},
  issn = {00219606},
  doi = {10.1063/1.430581},
  file = {/Users/shyue/Zotero/storage/J78GDYBU/1975 - Whittingham - Journal of Chemical Physics.pdf},
  journal = {Journal of Chemical Physics},
  language = {en},
  number = {4}
}

@article{whittinghamLithiumBatteriesCathode2004,
  title = {Lithium {{Batteries}} and {{Cathode Materials}}},
  author = {Whittingham, M. Stanley},
  year = {2004},
  month = oct,
  volume = {104},
  pages = {4271--4302},
  issn = {0009-2665},
  doi = {10.1021/cr020731c},
  file = {/Users/shyue/Zotero/storage/PUBZCG2G/2004 - Whittingham - Chemical Reviews(2).pdf},
  journal = {Chemical Reviews},
  number = {10}
}

@article{whittinghamTransitionMetalOxy2005,
  title = {Some Transition Metal (Oxy)Phosphates and Vanadium Oxides for Lithium Batteries},
  author = {Whittingham, M. Stanley and Song, Yanning and Lutta, Samuel and Zavalij, Peter Y. and a. Chernova, Natasha},
  year = {2005},
  volume = {15},
  pages = {3362},
  issn = {0959-9428},
  doi = {10.1039/b501961c},
  file = {/Users/shyue/Zotero/storage/H28RHP86/2005 - Whittingham et al. - Journal of Materials Chemistry.pdf},
  journal = {Journal of Materials Chemistry},
  number = {33}
}

@article{whittinghamUltimateLimitsIntercalation2014,
  title = {Ultimate Limits to Intercalation Reactions for Lithium Batteries},
  author = {Whittingham, M S},
  year = {2014},
  volume = {114},
  pages = {11414--11443},
  issn = {0009-2665},
  doi = {10.1021/cr5003003},
  file = {/Users/shyue/Zotero/storage/64XGH5S7/2014 - Whittingham - Chemical Reviews.pdf},
  journal = {Chemical Reviews},
  number = {23},
  pmid = {25354149}
}

@article{wibowoKineticThermodynamicParameters2009,
  title = {Kinetic and {{Thermodynamic Parameters}} of the {{Li}}/{{Li}} + {{Couple}} in the {{Room Temperature Ionic Liquid}}},
  author = {Wibowo, Rahmat and Jones, Sarah E Ward and Compton, Richard G},
  year = {2009},
  volume = {113},
  pages = {12293--12298},
  file = {/Users/shyue/Zotero/storage/IK6KILQS/2009 - Wibowo, Jones, Compton - Journal of Physical Chemistry B.pdf},
  journal = {Journal of Physical Chemistry B}
}

@article{wiedemannUnravellingUltraslowLithiumIon2016,
  title = {Unravelling {{Ultraslow Lithium}}-{{Ion Diffusion}} in {$\gamma$}-{{LiAlO}} 2 : {{Experiments}} with {{Tracers}}, {{Neutrons}}, and {{Charge Carriers}}},
  author = {Wiedemann, Dennis and Nakhal, Suliman and Rahn, Johanna and Witt, Elena and Islam, Mazharul M. and Zander, Stefan and Heitjans, Paul and Schmidt, Harald and Bredow, Thomas and Wilkening, Martin and Lerch, Martin},
  year = {2016},
  month = jan,
  pages = {acs.chemmater.5b04608},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.5b04608},
  file = {/Users/shyue/Zotero/storage/2GWQK24L/2016 - Wiedemann et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials}
}

@article{willattDataDrivenConstructionPeriodic2018,
  title = {A {{Data}}-{{Driven Construction}} of the {{Periodic Table}} of the {{Elements}}},
  author = {Willatt, Michael J. and Musil, F{\'e}lix and Ceriotti, Michele},
  year = {2018},
  month = jun,
  abstract = {Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes it possible to improve the accuracy of the model for a given amount of reference data. When using a description of the structures that is transparent and well-principled, optimizing the representation might reveal insights into the chemistry of the data set. Here we show how one can generalize the SOAP kernel to introduce a distance-dependent weight that accounts for the multi-scale nature of the interactions, and a description of correlations between chemical species. We show that this improves substantially the performance of ML models of molecular and materials stability, while making it easier to work with complex, multi-component systems and to extend SOAP to coarse-grained intermolecular potentials. The element correlations that give the best performing model show striking similarities with the conventional periodic table of the elements, providing an inspiring example of how machine learning can rediscover, and generalize, intuitive concepts that constitute the foundations of chemistry.},
  archivePrefix = {arXiv},
  eprint = {1807.00236},
  eprinttype = {arxiv},
  file = {/Users/shyue/Zotero/storage/QLIQZTD2/Willatt et al. - 2018 - A Data-Driven Construction of the Periodic Table o.pdf},
  journal = {arXiv:1807.00236 [physics]},
  keywords = {Physics - Chemical Physics,Physics - Computational Physics},
  language = {en},
  primaryClass = {physics}
}

@article{willemsAlgorithmsToolsHighthroughput2012,
  title = {Algorithms and Tools for High-Throughput Geometry-Based Analysis of Crystalline Porous Materials},
  author = {Willems, Thomas F. and Rycroft, Chris H. and Kazi, Michaeel and Meza, Juan C. and Haranczyk, Maciej},
  year = {2012},
  month = feb,
  volume = {149},
  pages = {134--141},
  issn = {13871811},
  doi = {10.1016/j.micromeso.2011.08.020},
  abstract = {Crystalline porous materials have a variety of uses, such as for catalysis and separation. Identifying suitable materials for a given application can, in principle, be done by screening material databases. Such a screening requires automated high-throughput analysis tools that calculate structural properties for all materials contained in a database so they can be compared with search queries, grouped or classified. One important aspect of the structural analysis of materials such as zeolites and metal organic frameworks is the investigation of the geometrical parameters describing pores. Here, we present algorithms and tools to efficiently calculate some of these important parameters. Our tools are based on the Voronoi decomposition, which for a given arrangement of atoms in a periodic domain provides a graph representation of the void space. The resulting Voronoi network is analyzed to obtain the diameter of the largest included sphere and the largest free sphere, which are two geometrical parameters that are frequently used to describe pore geometry. Accessibility of nodes in the network is also determined for a given guest molecule and the resulting information is later used to retrieve dimensionality of channel systems as well as in Monte Carlo sampling of accessible surfaces and volumes. The presented algorithms are implemented in a software tool, Zeo++, which includes a modified version of the Voro++ library. We present example applications of our algorithms and tools using zeolite frameworks currently listed in the Atlas of Zeolite Frameworks.},
  file = {/Users/shyue/Zotero/storage/8UBXEQAB/2012 - Willems et al. - Microporous and Mesoporous Materials.pdf},
  journal = {Microporous and Mesoporous Materials},
  number = {1}
}

@article{winterElectrochemicalLithiationTin1999,
  title = {Electrochemical Lithiation of Tin and Tin-Based Intermetallics and Composites},
  author = {Winter, Martin and Besenhard, J{\"u}rgen O.},
  year = {1999},
  month = sep,
  volume = {45},
  pages = {31--50},
  issn = {00134686},
  doi = {10.1016/S0013-4686(99)00191-7},
  abstract = {This article gives an overview on lithium alloys and lithium alloying metals for use as anodes in ambient temperature rechargeable lithium batteries. After a brief introduction about advantages and drawbacks of lithium alloy anodes and a chronological review of their development, principle concepts to overcome the problems with the dimensional stability of the metallic host materials will be presented. Recent work on promising multiphase (composite and/or intermetallic) tin-based lithium alloying materials will be highlighted.},
  file = {/Users/shyue/Zotero/storage/5NKRGK3W/1999 - Winter, Besenhard - Electrochimica Acta.pdf},
  journal = {Electrochimica Acta},
  keywords = {alloy anode,lithium alloys,lithium ion batteries,lithium storage alloys,tin},
  number = {1-2}
}

@article{winterlikChallengeMagnetismStrongly2009,
  title = {Challenge of {{Magnetism}} in {{Strongly Correlated Open}}-{{Shell}} 2p {{Systems}}},
  shorttitle = {Phys. {{Rev}}. {{Lett}}.},
  author = {Winterlik, J{\"u}rgen and Fecher, Gerhard and Jenkins, Catherine and Felser, Claudia and M{\"u}hle, Claus and Doll, Klaus and Jansen, Martin and Sandratskii, Leonid and K{\"u}bler, J{\"u}rgen},
  year = {2009},
  month = jan,
  volume = {102},
  pages = {016401},
  issn = {0031-9007},
  doi = {10.1103/PhysRevLett.102.016401},
  abstract = {We report on theoretical investigations of the exotic magnetism in rubidium sesquioxide Rb4O6, a model correlated system with an open 2p shell. Experimental investigations indicated that Rb4O6 is a magnetically frustrated insulator. The frustration is explained here by electronic structure calculations that incorporate the correlation between the oxygen 2p electrons and deal with the mixed-valent oxygen. This leads to a physical picture where the symmetry is reduced because one third of the oxygen in Rb4O6 is nonmagnetic while the remaining two thirds assemble in antiferromagnetic arrangements. A degenerate, insulating ground state with a large number of frustrated noncollinear magnetic configurations is confidently deduced from the theoretical point of view. These findings demonstrate in general the importance of electron-electron correlations in open-shell p-electron systems.},
  file = {/Users/shyue/Zotero/storage/NAJSQKBC/2009 - Winterlik et al. - Physical Review Letters.pdf},
  journal = {Physical Review Letters},
  number = {1}
}

@article{wisesapandu;mcgillkyle;muellerEfficientGenerationGeneralized2015,
  title = {Efficient Generation of Generalized {{Monkhorst}}-{{Pack}} Grids through the Use of Informatics},
  author = {Wisesa, Pandu; Mcgill, Kyle; Mueller, Tim},
  year = {2015},
  volume = {1},
  pages = {1--10},
  issn = {1098-6596},
  doi = {10.1017/CBO9781107415324.004},
  abstract = {We present a method for rapidly generating efficient k-point grids for Brillouin zone integration by using a database of pre-calculated grids. Benchmark results on 102 randomly-selected materials indicate that for well-converged calculations, the grids generated by our method have less than half as many irreducible k-points as Monkhorst-Pack grids generated using a more conventional method, significantly accelerating the calculation of properties of crystalline materials.},
  file = {/Users/shyue/Zotero/storage/WFLV9PNW/2015 - Wisesa, Pandu Mcgill, Kyle Mueller - PhD Proposal.pdf},
  journal = {PhD Proposal},
  keywords = {icle},
  number = {April},
  pmid = {25246403}
}

@article{wishartEnergyApplicationsIonic2009,
  title = {Energy Applications of Ionic Liquids},
  author = {Wishart, James F.},
  year = {2009},
  volume = {2},
  pages = {956},
  issn = {1754-5692},
  doi = {10.1039/b906273d},
  journal = {Energy \& Environmental Science},
  number = {9}
}

@article{wolfenstineHighConductivityDense2012,
  title = {High Conductivity of Dense Tetragonal {{Li7La3Zr2O12}}},
  author = {Wolfenstine, Jeff and Rangasamy, Ezhiyl and Allen, Jan L. and Sakamoto, Jeffrey},
  year = {2012},
  volume = {208},
  pages = {193--196},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2012.02.031},
  file = {/Users/shyue/Zotero/storage/8LML5G77/2012 - Wolfenstine et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources}
}

@article{wolfenstineNi2Ni3Redox2005,
  title = {Ni2+/{{Ni3}}+ Redox Potential in {{LiNiPO4}}},
  author = {Wolfenstine, J and Allen, J},
  year = {2005},
  month = mar,
  volume = {142},
  pages = {389--390},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2004.11.024},
  file = {/Users/shyue/Zotero/storage/CVBRVPAS/2005 - Wolfenstine, Allen - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  keywords = {cathode,li-ion batteries,linipo4,olivine,redox potential},
  number = {1-2}
}

@article{wollanNeutronDiffractionStudy1955,
  title = {Neutron {{Diffraction Study}} of the {{Magnetic Properties}} of the {{Series}} of {{Perovskite}}-{{Type Compounds}} [(1-x){{La}}, {{xCa}}]{{MnO3}}},
  author = {Wollan, E. O. and Koehler, W. C.},
  year = {1955},
  volume = {100},
  pages = {545--563},
  file = {/Users/shyue/Zotero/storage/PFBYHH5E/1955 - Wollan, Koehler - Physical Review.pdf},
  journal = {Physical Review},
  number = {2}
}

@article{wolvertonPredictionLiIntercalation1998,
  title = {Prediction of {{Li Intercalation}} and {{Battery Voltages}} in {{Layered}} vs. {{Cubic Li}}[Sub x]{{CoO}}[Sub 2]},
  shorttitle = {J. {{Electrochem}}. {{Soc}}.},
  author = {Wolverton, C. and Zunger, Alex},
  year = {1998},
  month = jul,
  volume = {145},
  pages = {2424--2431},
  abstract = {Itis now possible to use a quantum-mechanical electronic structure theoryof solids and derive, completely from "first-principles," the voltage ofa battery based on intercalation reaction energetics. Using such techniques,we investigate the structural stability, intercalation energies, and battery voltagesof the two observed ordered phases ("layered" and cubic) ofLiCoO2. We perform calculations for not only fully lithiated LiCoO2,but also fully delithiated CoO2 and partially delithiated Li0.5CoO2. Ourcalculations demonstrate that removal of Li from the cubic phaseresults in movement of the Li atoms from their originaloctahedral sites to tetrahedral sites, forming a low-energy LiCo2O4 spinelstructure. The energetics of the spinel phase are shown toaccount for the observed marked differences in battery voltages betweenthe cubic and layered phases of LiCoO2. A small energybarrier exists for Li motion between octahedral and tetrahedral sites,thus indicating the metastability of the high-energy octahedral sites. Finally,we point out a possible pressure-induced layered cubic transitionin LiCoO2. \textcopyright 1998 The Electrochemical Society, Inc.},
  file = {/Users/shyue/Zotero/storage/KW9GC9JZ/1998 - Wolverton, Zunger - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  keywords = {cathodes,chemical structure,crystal structure,electric properties,electrochemical electrodes,intercalation compounds,lithium compounds,quantum chemistry,secondary cells,solid-state phase transformations},
  number = {7}
}

@article{woodQuantumAccurateMolecularDynamics2017,
  title = {Quantum-{{Accurate Molecular Dynamics Potential}} for {{Tungsten}}},
  author = {Wood, Mitchell A. and Thompson, Aidan P.},
  year = {2017},
  pages = {1--7},
  abstract = {The purpose of this short contribution is to report on the development of a Spectral Neighbor Analysis Potential (SNAP) for tungsten. We have focused on the characterization of elastic and defect properties of the pure material in order to support molecular dynamics simulations of plasma-facing materials in fusion reactors. A parallel genetic algorithm approach was used to efficiently search for fitting parameters optimized against a large number of objective functions. In addition, we have shown that this many-body tungsten potential can be used in conjunction with a simple helium pair potential to produce accurate defect formation energies for the W-He binary system.},
  file = {/Users/shyue/Zotero/storage/3KGPHFCQ/2017 - Wood, Thompson - Unknown.pdf}
}

@article{woodwardFlexibleInitioBoundary2002,
  title = {Flexible {{{\emph{Ab Initio}}}} {{Boundary Conditions}}: {{Simulating Isolated Dislocations}} in Bcc {{Mo}} and {{Ta}}},
  shorttitle = {Flexible {{{\emph{Ab Initio}}}} {{Boundary Conditions}}},
  author = {Woodward, C. and Rao, S. I.},
  year = {2002},
  month = may,
  volume = {88},
  pages = {216402},
  issn = {0031-9007, 1079-7114},
  doi = {10.1103/PhysRevLett.88.216402},
  file = {/Users/shyue/Zotero/storage/KUBKTKR6/Woodward and Rao - 2002 - Flexible iAb Initioi Boundary Conditions Sim.pdf},
  journal = {Physical Review Letters},
  language = {en},
  number = {21}
}

@article{wooTrigonalNa4Ti5O12Phase2012,
  title = {Trigonal {{Na4Ti5O12 Phase}} as an {{Intercalation Host}} for {{Rechargeable Batteries}}},
  author = {Woo, S. H. and Park, Y. and Choi, W. Y. and Choi, N.-S. and Nam, S. and Park, B. and Lee, K. T.},
  year = {2012},
  month = oct,
  volume = {159},
  pages = {A2016--A2023},
  issn = {0013-4651},
  doi = {10.1149/2.009301jes},
  abstract = {Trigonal Na4Ti5O12 with a tunnel-structured three-dimensional framework was first examined as an anode material for Li ion batteries. The nanosized Na4Ti5O12 was synthesized at 600{$\smwhtcircle$}C using the solid state method with carbon-coated nanosized TiO2 anatase. Carbon layers on TiO2 play an important role of inhibiting the growth of Na4Ti5O12 particles. Li ions are reversibly de/intercalated in the Na4Ti5O12 structure, and this shows the reversible capacity of ca. 100 mA h g-1 with no capacity fading over 100 cycles. During the repeated charge and discharge, the ion exchange between Na ion and Li ion happens to form LixNa4-xTi5O12, and this causes an increase of the relative tunnel size due to smaller Li ion, resulting in decreasing polarization of voltage profiles. Also, trigonal Na4Ti5O12 was additionally examined as an anode for Na ion batteries.},
  file = {/Users/shyue/Zotero/storage/CA4PJCGY/2012 - Woo et al. - Journal of the Electrochemical Society.pdf},
  journal = {Journal of the Electrochemical Society},
  number = {12}
}

@article{wuDiffusionfreeGrotthussTopochemistry2019,
  title = {Diffusion-Free {{Grotthuss}} Topochemistry for High-Rate and Long-Life Proton Batteries},
  author = {Wu, Xianyong and Hong, Jessica J. and Shin, Woochul and Ma, Lu and Liu, Tongchao and Bi, Xuanxuan and Yuan, Yifei and Qi, Yitong and Surta, T. Wesley and Huang, Wenxi and Neuefeind, Joerg and Wu, Tianpin and Greaney, P. Alex and Lu, Jun and Ji, Xiulei},
  year = {2019},
  month = feb,
  volume = {4},
  pages = {123--130},
  issn = {2058-7546},
  doi = {10.1038/s41560-018-0309-7},
  file = {/Users/shyue/Zotero/storage/8R9QYCIA/Wu et al. - 2019 - Diffusion-free Grotthuss topochemistry for high-ra.pdf},
  journal = {Nature Energy},
  language = {en},
  number = {2}
}

@article{wuDirectDiffusionInterpenetrating2011,
  title = {Direct {{Diffusion}} through {{Interpenetrating Networks}}: {{Oxygen}} in {{Titanium}}},
  author = {Wu, Henry and Trinkle, Dallas},
  year = {2011},
  month = jul,
  volume = {107},
  pages = {1--4},
  issn = {0031-9007},
  doi = {10.1103/PhysRevLett.107.045504},
  file = {/Users/shyue/Zotero/storage/K2T9V8N2/2011 - Wu, Trinkle - Physical Review Letters.pdf},
  journal = {Physical Review Letters},
  number = {4}
}

@article{wuDirectOptimizationMethod2005,
  title = {Direct Optimization Method to Study Constrained Systems within Density-Functional Theory},
  author = {Wu, Qin and Van Voorhis, Troy},
  year = {2005},
  volume = {72},
  pages = {024502},
  issn = {1050-2947},
  doi = {10.1103/PhysRevA.72.024502},
  file = {/Users/shyue/Zotero/storage/X5CCGFNB/2005 - Wu, Van Voorhis - Physical Review A.pdf},
  journal = {Physical Review A},
  number = {2}
}

@article{wuDualphaseNanostructuringRoute2017,
  title = {Dual-Phase Nanostructuring as a Route to High-Strength Magnesium Alloys},
  author = {Wu, Ge and Chan, Ka-Cheung and Zhu, Linli and Sun, Ligang and Lu, Jian},
  year = {2017},
  issn = {0028-0836},
  doi = {10.1038/nature21691},
  file = {/Users/shyue/Zotero/storage/IJNHETMR/2017 - Wu et al. - Nature.pdf},
  journal = {Nature}
}

@article{wuFirstPrinciplesHigh2013,
  title = {First Principles High Throughput Screening of Oxynitrides for Water-Splitting Photocatalysts},
  author = {Wu, Yabi and Lazic, Predrag and Hautier, Geoffroy and Persson, Kristin and Ceder, Gerbrand},
  year = {2013},
  issn = {1754-5692},
  doi = {10.1039/c2ee23482c},
  abstract = {In this paper, we present a first principles high throughput screening system to search for new watersplitting photocatalysts. We use the approach to screen through nitrides and oxynitrides. Most of the known photocatalytic materials in the screened chemical space are reproduced. In addition, sixteen new materials are suggested by the screening approach as promising photocatalysts, including three binary nitrides, two ternary oxynitrides and eleven quaternary oxynitrides.},
  journal = {Energy \& Environmental Science}
}

@article{wuHighColorRendering2017,
  title = {High {{Color Rendering Index}} of {{Rb}} 2 {{GeF}} 6 :{{Mn}} 4+ for {{Light}}-{{Emitting Diodes}}},
  author = {Wu, Wei-Lun and Fang, Mu-Huai and Zhou, Wenli and Lesniewski, Tadeusz and Mahlik, Sebastian and Grinberg, Marek and Brik, Mikhail G. and Sheu, Hwo-Shuenn and Cheng, Bing-Ming and Wang, Jing and Liu, Ru-Shi},
  year = {2017},
  month = feb,
  volume = {29},
  pages = {935--939},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.6b05244},
  file = {/Users/shyue/Zotero/storage/79PD5IWG/2017 - Wu et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {3},
  pmid = {22393313}
}

@article{wuInitioCalculationsStructural2007,
  title = {Ab Initio Calculations of Structural, Elastic and Electronic Properties of {{Li2O2}}},
  author = {Wu, H. and Zhang, H. and Cheng, X. and Cai, L.},
  year = {2007},
  month = aug,
  volume = {87},
  pages = {3373--3383},
  abstract = {The equilibrium structure of the compound Li2O2 has been obtained via minimization of the total energy within the local density approximation (LDA) based on density functional theory (DFT). The calculated lattice parameters are in excellent agreement with available values. The elastic properties of Li2O2 are investigated. Values of all independent elastic constants (C11, C12, C13, C33 and C44) as well as bulk moduli in the a and c directions are predicted. Our calculated elastic properties suggest that the compound Li2O2 is slightly anisotropic but can be considered as an isotropic material compared with other highly anisotropic materials. The electronic properties, including the density of states and energy band structure, are obtained and we find that this compound behaves as a semiconductor.},
  file = {/Users/shyue/Zotero/storage/9LCILTI2/2007 - Wu et al. - Philosophical Magazine.pdf},
  journal = {Philosophical Magazine},
  number = {23}
}

@article{wunderlichEXAFSXANESDFT2010,
  title = {{{EXAFS}}, {{XANES}}, and {{DFT}} Study of the Mixed-Valence Compound {{YMn2 O5}}: {{Site}}-Selective Substitution of {{Fe}} for {{Mn}}},
  author = {Wunderlich, F. and Leisegang, T. and {Wei{\textbackslash}s sbach}, T. and Zschornak, M. and St{\"o}cker, H. and Dshemuchadse, J. and Lubk, A. and F{\"u}hrlich, T. and Welter, E. and Souptel, D. and Gemming, S. and Seifert, G. and Meyer, D. C.},
  year = {2010},
  volume = {82},
  pages = {1--14},
  issn = {10980121},
  doi = {10.1103/PhysRevB.82.014409},
  file = {/Users/shyue/Zotero/storage/3X2HFT79/2010 - Wunderlich et al. - Physical Review B - Condensed Matter and Materials Physics.pdf},
  journal = {Physical Review B - Condensed Matter and Materials Physics},
  number = {1}
}

@article{wuNewInsightsInterphase2018,
  title = {New {{Insights}} into the {{Interphase}} between the {{Na Metal Anode}} and {{Sulfide Solid}}-{{State Electrolytes}}: {{A Joint Experimental}} and {{Computational Study}}},
  author = {Wu, Erik A. and Kompella, Christopher S. and Zhu, Zhuoying and Lee, Jungwoo Z. and Lee, Steven C. and Chu, Iek-Heng and Nguyen, Han and Ong, Shyue Ping and Banerjee, Abhik and Meng, Ying Shirley},
  year = {2018},
  month = mar,
  volume = {10},
  pages = {10076--10086},
  issn = {1944-8244},
  doi = {10.1021/acsami.7b19037},
  abstract = {In this work, we investigated the interface between the sodium anode and the sulfide-based solid electrolytes Na3SbS4 (NAS), Na3PS4 (NPS), and Cl-doped NPS (NPSC) in all-solid-state-batteries (ASSBs). Even though these electrolytes have demonstrated high ionic conductivities in the range of 1 mS cm\textendash 1 at ambient temperatures, sulfide sold-state electrolytes (SSEs) are known to be unstable with Na metal, though the exact reaction mechanism and kinetics of the reaction remain unclear. We demonstrate that the primary cause of capacity fade and cell failure is a chemical reaction spurred on by electrochemical cycling that takes place at the interface between the Na anode and the SSEs. To investigate the properties of the Na-solid electrolyte interphase (SSEI) and its effect on cell performance, the SSEI was predicted computationally to be composed of Na2S and Na3Sb for NAS and identified experimentally via X-ray photoelectron spectroscopy (XPS). These two compounds give the SSEI mixed ionic- and electronic-conducting properties, which promotes continued SSEI growth, which increases the cell impedance at the expense of cell performance and cycle life. The SSEI for NPS was similarly found to be comprised of Na2S and Na3P, but XPS analysis of Cl-doped NPS (NPSC) showed the presence of an additional compound at the SSEI, NaCl, which was found to mitigate the decomposition of NPS. The methodologies presented in this work can be used to predict and optimize the electrochemical behavior of an all-solid-state cell. Such joint computational and experimental efforts can inform strategies for engineering a stable electrolyte and SSEI to avoid such reactions. Through this work, we call for more emphasis on SSE compatibility with both anodes and cathodes, essential for improving the electrochemical properties, longevity, and practicality of Na-based ASSBs.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/8NYRWVMU/Wu et al. - 2018 - New Insights into the Interphase between the Na Me.pdf},
  journal = {ACS Applied Materials \& Interfaces},
  number = {12}
}

@article{wuPiezoelectricitySingleatomiclayerMoS22014,
  title = {Piezoelectricity of Single-Atomic-Layer {{MoS2}} for Energy Conversion and Piezotronics},
  author = {Wu, Wenzhuo and Wang, Lei and Li, Yilei and Zhang, Fan and Lin, Long and Niu, Simiao and Chenet, Daniel and Zhang, Xian and Hao, Yufeng and Heinz, Tony F. and Hone, James and Wang, Zhong Lin},
  year = {2014},
  month = oct,
  volume = {514},
  pages = {470--474},
  issn = {0028-0836},
  doi = {10.1038/nature13792},
  file = {/Users/shyue/Zotero/storage/KDMY9ZYK/2014 - Wu et al. - Nature.pdf},
  journal = {Nature},
  number = {7523}
}

@article{wuPlatinumGroupMetalHighEntropyAlloyNanoparticles2020,
  title = {Platinum-{{Group}}-{{Metal High}}-{{Entropy}}-{{Alloy Nanoparticles}}},
  author = {Wu, Dongshuang and Kusada, Kohei and Yamamoto, Tomokazu and Toriyama, Takaaki and Matsumura, Syo and Kawaguchi, Shogo and Kubota, Yoshiki and Kitagawa, Hiroshi},
  year = {2020},
  month = aug,
  volume = {142},
  pages = {13833--13838},
  issn = {0002-7863, 1520-5126},
  doi = {10.1021/jacs.0c04807},
  abstract = {The platinum-group metals (PGMs) are six neighboring elements in the periodic table of the elements. Each PGM can efficiently promote unique reactions, and therefore, alloying PGMs would create ideal catalysts for complex or multistep reactions that involve several reactants and intermediates. Thus, high-entropy-alloy (HEA) nanoparticles (NPs) of all six PGMs (denoted as PGM-HEA) having a great variety of adsorption sites on their surfaces could be ideal candidates to catalyze complex reactions. Here, we report for the first time PGM-HEA and demonstrate that PGM-HEA efficiently promotes the ethanol oxidation reaction (EOR) with complex 12-electron/12-proton transfer processes. PGM-HEA shows 2.5 (3.2), 6.1 (9.7), and 12.8 (3.4) times higher activity than the commercial Pd/C, Pd black and Pt/C catalysts in terms of intrinsic (mass) activity, respectively. Remarkably, it records more than 1.5 times higher mass activity than the most active catalyst to date. Our findings pave the way for promoting complex or multistep reactions that are seldom realized by mono- or bimetallic catalysts.},
  file = {/Users/shyue/Zotero/storage/QCC2TFE5/Wu et al. - 2020 - Platinum-Group-Metal High-Entropy-Alloy Nanopartic.pdf},
  journal = {Journal of the American Chemical Society},
  language = {en},
  number = {32}
}

@article{wuPredictionSemiconductorBand2011,
  title = {Prediction of Semiconductor Band Edge Positions in Aqueous Environments from First Principles},
  author = {Wu, Yabi and Chan, M. and Ceder, G.},
  year = {2011},
  month = jun,
  volume = {83},
  pages = {1--7},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.83.235301},
  journal = {Physical Review B},
  number = {23}
}

@article{wuRoleSolidElectrolyte2018,
  title = {The Role of the Solid Electrolyte Interphase Layer in Preventing {{Li}} Dendrite Growth in Solid-State Batteries},
  author = {Wu, Bingbin and Wang, Shanyu and Lochala, Joshua and Desrochers, David and Liu, Bo and Zhang, Wenqing and Yang, Jihui and Xiao, Jie},
  year = {2018},
  volume = {11},
  pages = {1803--1810},
  issn = {1754-5692},
  doi = {10.1039/C8EE00540K},
  abstract = {The fundamental role of the solid electrolyte interphase (SEI) layer in preventing dendritic Li growth has been investigated in solid-state batteries.},
  journal = {Energy \& Environmental Science},
  number = {7}
}

@article{wuSizeChargeEffects1998,
  title = {Size and Charge Effects on the Structural Stability of {{LiMO2}} ({{M}} = Transition Metal) Compounds},
  author = {Wu, Eric J. and Tepesch, Patrick D. and Ceder, Gerbrand},
  year = {1998},
  volume = {77},
  pages = {1039--1047},
  abstract = {The stuctural stability of ordered rocksalt structures with compositionAMO2 (A= alkali metal; M= transition metal) is investigated as a function of size and charge of the cations.Many of thesematerials are of interest for their applications as intercalation electrodes in rechargeable batteries. The ionic size and charge of the A and M cations are controlled by varying the cation{$\pm$} oxygen interaction parameters of a Buckingham interaction potential. Our calculations show that the a -LiFeO2 structure is stabilized for A and Mcations of approximately the same size because of a favourable electrostatic energy. As size di erences between the cations are increased, the layered a -NaFeO structure is stabilized. The LiMnO2 and low-temperature LiCoO2 structures are found to be stable only in a narrow region of parameter space. These calculations also show that as the charge on the M cation is reduced, the a -NaFeO2 structure is stabilized for a wider range of cation sizes. We compare the results of our calculations with experimental data.},
  file = {/Users/shyue/Zotero/storage/FBYUMLRM/1998 - Wu, Tepesch, Ceder - PHILOSOPHICAL MAGAZINE B.pdf},
  journal = {PHILOSOPHICAL MAGAZINE B},
  number = {4}
}

@article{wuStableCathodeSolidElectrolyte2020,
  title = {A {{Stable Cathode}}-{{Solid Electrolyte Composite}} for {{Long}}-{{Cycle}}-{{Life}}, {{High Voltage Solid}}-{{State Sodium}}-Ion {{Batteries}}},
  author = {Wu, Erik and Banerjee, Swastika and Tang, Hanmei and Richardson, Peter M. and Doux, Jean-Marie and Qi, Ji and Zhu, Zhuoying and Grenier, Antonin and Li, Yixuan and Zhao, Enyue and Deysher, Grayson and Nguyen, Han and Stephens, Ryan and Verbist, Guy and Chapman, Karena W. and Cl{\'e}ment, Rapha{\"e}le J. and Banerjee, Abhik and Meng, Ying Shirley and Ong, Shyue Ping},
  year = {2020},
  month = jul,
  publisher = {{ChemRxiv}},
  doi = {10.26434/chemrxiv.12730964.v1},
  abstract = {Rechargeable solid-state sodium-ion batteries (SSSBs) hold great promise for safer and more energy-dense energy storage. However, the poor electrochemical stability between current sulfide-based solid electrolytes and high-voltage oxide cathodes has limited their long-term cycling performance and practicality. Here, we report the discovery of Na3-xY1-xZrxCl6 (NYZC) as an ion conductor that is both electrochemically stable (up to 3.8 V vs. Na/Na+) and chemically compatible with oxide cathodes. Its high ionic conductivity of 6.6 x 10-5 S cm-1 at ambient temperature, several orders of magnitude higher than oxide coatings, is attributed to abundant Na vacancies and cooperative MCl6 rotation, resulting in an extremely low interfacial impedance. A SSSB comprising a NaCrO2+NYZC composite cathode, Na3PS4 electrolyte, and Na-Sn anode exhibits an exceptional first-cycle Coulombic efficiency of 97.1\% at room temperature and can cycle over 1000 cycles with 89.3\% capacity retention at 40\textdegree C. These findings highlight the immense potential of halide ion conductors for SSSB applications.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/SXQJKVJD/Wu et al. - 2020 - A Stable Cathode-Solid Electrolyte Composite for L.pdf},
  journal = {ChemRxiv},
  keywords = {corresponding},
  language = {en}
}

@article{wuStructuralOriginOverchargeInduced2011,
  title = {Structural {{Origin}} of {{Overcharge}}-{{Induced Thermal Instability}} of {{Ni}}-{{Containing Layered}}-{{Cathodes}} for {{High}}-{{Energy}}-{{Density Lithium Batteries}}},
  author = {Wu, Lijun and Nam, Kyung-wan and Wang, Xiaojian and Zhou, Yongning and Zheng, Jin-cheng and Yang, Xiao-qing and Zhu, Yimei},
  year = {2011},
  month = aug,
  pages = {110804124616022},
  issn = {0897-4756},
  doi = {10.1021/cm201452q},
  abstract = {Using a combination of time-resolved X-ray diffraction (XRD), in situ transmission electron microscopy (TEM), and first principles calculations, we explore the structural origin of the overcharge induced thermal instability of two cathode materials, LiNi0.8Co0.15Al0.05O2 and LiNi1/3- Co1/3Mn1/3O2, which exhibit significant difference in thermal stabilities. Detailed TEM analysis reveals, for the first time, a complex coreshell-surface structure of the particles in both materials that was not previously detected by XRD. Structural comparison indicates that the overcharged LixNi0.8Co0.15Al0.05O2 (x \textbackslash textless 0.15) particles consist of a rhombohedral core, a spinel shell, and a rock-salt structure at the surface, while the overcharged LixNi1/3Co1/3Mn1/3O2 consists of a similar coreshell-surface structure but a very different CdI2-type surface structure. The thermal instability of LixNi0.8Co0.15Al0.05O2 can be attributed to the release of oxygen because of the rapid growth of the rock-salt-type structure on the surface during heating. In contrast, the CdI2-type surface structure of the overcharged LixNi1/3Co1/3Mn1/3O2 particles delays the oxygen-release reaction to a much higher temperature resulting in better stability. These results gave deep insight into the relationship between the local structural changes and the thermal stability of cathode materials, which is vital to the development of new cathode materials for the next generation of lithium-ion batteries.},
  file = {/Users/shyue/Zotero/storage/YHGBMCC3/2011 - Wu et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  keywords = {high capacity cathode,in situ,lithium batteries,tem,thermal stability,xrd}
}

@article{wuThermodynamicPropertiesLithium2006,
  title = {The Thermodynamic Properties of Lithium Peroxide, {{Li2O2}}},
  author = {Wu, H and Zhang, H and Cheng, X and Cai, L},
  year = {2006},
  month = dec,
  volume = {360},
  pages = {352--356},
  abstract = {Recently, Cota et al. gave an improved crystal structure of lithium peroxide. For the sake of investigation of the thermal properties for this structure of Li2O2, the Debye model is adopted in our work. This model combines with the ab initio calculations within local density approximation (LDA) using pseudopotentials and a planewave basis in the framework of density functional theory (DFT), and it takes into account the phononic effects within the quasi-harmonic approximation. We find that our calculated lattice constant using this model is in excellent agreement with the data from Cota et al. Based on the first principles study and the Debye model, the thermal properties including the equation of state, the Debye temperature, the heat capacity and the thermal expansion are obtained in the whole pressure range from 0 to 10 GPa and temperature range from 0 to 500 K.},
  file = {/Users/shyue/Zotero/storage/Z3UX7R2R/2006 - Wu et al. - Physics Letters A.pdf},
  journal = {Physics Letters A},
  number = {2}
}

@article{wuThermodynamicStrengtheningHeterointerfaces2016,
  title = {Thermodynamic {{Strengthening}} of {{Heterointerfaces}} in {{Nanoceramics}}},
  author = {Wu, Longjia and Dey, Sanchita and Mardinly, John and Hasan, Md. and Castro, Ricardo H. R.},
  year = {2016},
  pages = {acs.chemmater.6b00074},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.6b00074},
  file = {/Users/shyue/Zotero/storage/UK94M7QM/2016 - Wu et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials}
}

@article{wynblattModelingGrainBoundary2019,
  title = {Modeling Grain Boundary and Surface Segregation in Multicomponent High-Entropy Alloys},
  author = {Wynblatt, Paul and Chatain, Dominique},
  year = {2019},
  month = may,
  volume = {3},
  pages = {054004},
  issn = {2475-9953},
  doi = {10.1103/PhysRevMaterials.3.054004},
  file = {/Users/shyue/Zotero/storage/D3Q7VRVD/Wynblatt and Chatain - 2019 - Modeling grain boundary and surface segregation in.pdf},
  journal = {Physical Review Materials},
  language = {en},
  number = {5}
}

@article{xiaCe3DopedGarnet2017,
  title = {Ce3+-{{Doped}} Garnet Phosphors: Composition Modification, Luminescence Properties and Applications.},
  author = {Xia, Zhiguo and Meijerink, Andries},
  year = {2017},
  volume = {46},
  pages = {275},
  issn = {14604744},
  doi = {10.1039/C6CS00551A},
  abstract = {Garnets have the general formula of A3B2C3O12 and form a wide range of inorganic compounds

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