text:
finely tuned. This facilitates command over H2 and CO2 surface chemical reactions that are responsible for the activity and selectivity towards products CO and CH3OH. The control over the performance metrics of a CO2 hydrogenation photocatalyst provided by tuneable rh/c-In2O3-x(OH)y polymorphic heterostructures, affords promising opportunities for the future development of renewable synthetic fuels.},
  file = {/Users/shyue/Zotero/storage/QZJUD94A/Yan et al. - 2020 - How to make an efficient gas-phase heterogeneous C.pdf;/Users/shyue/Zotero/storage/BTG8QVV8/unauth.html},
  journal = {Energy \& Environmental Science},
  language = {en}
}

@article{yanLuminescenceElectronicProperties2014,
  title = {Luminescence and Electronic Properties of {{Ba}} 2 {{MgSi}} 2 {{O}} 7 :{{Eu}} 2+ : A Combined Experimental and Hybrid Density Functional Theory Study},
  author = {Yan, Jing and Ning, Lixin and Huang, Yucheng and Liu, Chunmeng and Hou, Dejian and Zhang, Bingbing and Huang, Yan and Tao, Ye and Liang, Hongbin},
  year = {2014},
  volume = {2},
  pages = {8328--8332},
  issn = {2050-7526},
  doi = {10.1039/C4TC01332H},
  abstract = {Photoluminescence properties of Ba 2 MgSi 2 O 7 :Eu 2+ synthesized by a solid-state reaction method are first investigated in the vacuum ultraviolet (VUV) to visible (vis) excitation energy range. The band gap of the host is found to be around 7.44 eV. The incorporation of Eu 2+ leads to bright green luminescence with weak thermal quenching above room temperature. Cathodoluminescence (CL) properties under low- voltage excitations are then studied, and the results suggest a potential application of the compound in field emission displays (FEDs). Electronic properties of the compound are finally calculated by a hybrid density functional theory (DFT) method, and are discussed in association with observed luminescence properties.},
  file = {/Users/shyue/Zotero/storage/UJ7XHFCE/2014 - Yan et al. - J. Mater. Chem. C.pdf},
  journal = {J. Mater. Chem. C},
  number = {39}
}

@article{yanLuminescenceThermalQuenching2019,
  title = {Luminescence Thermal Quenching of {{M2SiO4}}:{{Eu2}}+({{M}}={{Sr}},{{Ba}}) Phosphors},
  shorttitle = {Luminescence Thermal Quenching of {{M2SiO4}}},
  author = {Yan, Shirun},
  year = {2019},
  month = jul,
  issn = {1002-0721},
  doi = {10.1016/j.jre.2019.03.020},
  abstract = {In this paper, luminescence thermal quenching of M2SiO4:Eu2+ (M=Sr,Ba) orthosilicate phosphors and mechanisms for thermal quenching proposed by different authors are briefly reviewed. Depending on preparation conditions and/or Eu2+-doping concentrations, the quenching temperature (T1/2) and activation energy for thermal quenching of the same orthosilicate phosphor reported by different authors are inconsistent. The common conclusion is that T1/2 of the intermediate compound (Ba1\textendash -xSrx)2SiO4:Eu2+(x{$\approx$}0.5)is higher than that of either Sr2SiO4:Eu2+ or Ba2SiO4:Eu2+ end-member. Moreover, T1/2 of the best-performing SrBaSiO4:Eu2+ is evidently lower than that of YAG:Ce3+ and some Eu2+-doped nitride phosphors. Regarding the quenching mechanism, most of the investing ators attributed thermal quenching to a thermally assisted 4f-5d cross-over in the configuration coordinate diagram. Only a few authors ascribed thermal quenching to a thermally assisted photoionization of 5d electron to conduction band of the host. Nonetheless, a close inspection of T1/2 and Stokes shift derived from the vibrational spectra of the intermediate compound and end-member phosphors indicates that the 5d electron photoionization model instead of the 4f-5d crossing decay model should be the genuine mechanism for the thermal quenching of M2SiO4:Eu2+ (M=Sr,Ba) phosphors. Since the relationship between T1/2 and Stokes shift of the phosphors does not support the 4f-5d crossing decay model. The ionization probability of the 5d electron depends on the energy gap (EdC) between 5d1 level of the Eu2+ and conduction band minimum (CBM) of the host at higher temperatures. Lattice thermal expansion would result inan elevating 5d1 level of the Eu2+ along with a diminishing CBM of the hostandas a consequence are duction in EdC and an enhanced photoionization probability at elevated temperatures. Aless rigid lattice and hence a larger coefficient of thermal expansion of M2SiO4hosts should bethe physical origin of poorer thermal quenching properties of the orthosilicate phosphors.},
  file = {/Users/shyue/Zotero/storage/YBC6HMEP/S100207211930033X.html},
  journal = {Journal of Rare Earths},
  keywords = {lattice expansion-induced reduction in,MSiO:Eu phosphors,photoionization,rare earths,thermal quenching}
}

@article{yanNanosizedTungstenCarbide2013,
  title = {Nanosized Tungsten Carbide Synthesized by a Novel Route at Low Temperature for High Performance Electrocatalysis},
  author = {YAN, Z. and CAI, M. and SHEN, P. K.},
  year = {2013},
  volume = {3},
  pages = {1646},
  issn = {2045-2322},
  doi = {10.1038/srep01646},
  abstract = {Tungsten carbide (WC) is a widely used engineering material which is usually prepared at high temperature. A new mechanism for synthesizing nanoscaled WC at ultralow temperature has been discovered. This discovery opens a novel route to synthesize valuable WC and other carbides at a cost-efficient way. The novel formation mechanism is based on an ion-exchange resin as carbon source to locally anchor the W and Fe species. As an intermediate, FeWO4 can be formed at lower temperature, which can be directly converted into WC along with the carbonization of resin. The size of WC can be less than 2 nm. The catalyst made with Pt nanoparticles supported on nanosized WC-GC (WC-graphitized carbon) shows enhanced electrocatalytic activity for oxygen reduction reaction. The result also indicates that the Pt nanoparticles deposited on WC-GC are dominated by Pt (111) plane and shows a mass activity of 257.7 mA mg(-1)Pt@0.9 V.},
  file = {/Users/shyue/Zotero/storage/23P4NJJM/2013 - YAN, CAI, SHEN - Scientific Reports.pdf},
  journal = {Scientific Reports},
  pmid = {23571654}
}

@article{yanoXrayAbsorptionSpectroscopy2009,
  title = {X-Ray Absorption Spectroscopy},
  author = {Yano, Junko and Yachandra, Vittal K.},
  year = {2009},
  month = dec,
  volume = {102},
  pages = {241--254},
  issn = {0166-8595},
  doi = {10.1007/s11120-009-9473-8},
  abstract = {This review gives a brief description of the theory and application of X-ray absorption spectroscopy, both X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), especially, pertaining to photosynthesis. The advantages and limitations of the methods are discussed. Recent advances in extended EXAFS and polarized EXAFS using oriented membranes and single crystals are explained. Developments in theory in understanding the XANES spectra are described. The application of X-ray absorption spectroscopy to the study of the Mn4Ca cluster in Photosystem II is presented.},
  journal = {Photosynthesis Research},
  number = {2-3},
  pmid = {19653117}
}

@article{yanRoleNitrogenVacancies2012,
  title = {Role of Nitrogen Vacancies in the Luminescence of {{Mg}}-Doped {{GaN}}},
  author = {Yan, Qimin and Janotti, Anderson and Scheffler, Matthias and {Van de Walle}, Chris G.},
  year = {2012},
  volume = {100},
  pages = {142110},
  issn = {00036951},
  doi = {10.1063/1.3699009},
  file = {/Users/shyue/Zotero/storage/ZH98KJXP/2012 - Yan et al. - Applied Physics Letters.pdf},
  journal = {Applied Physics Letters},
  number = {14}
}

@article{yaoCarbothermalShockSynthesis2018,
  title = {Carbothermal Shock Synthesis of High-Entropy-Alloy Nanoparticles},
  author = {Yao, Yonggang and Huang, Zhennan and Xie, Pengfei and Lacey, Steven D. and Jacob, Rohit Jiji and Xie, Hua and Chen, Fengjuan and Nie, Anmin and Pu, Tiancheng and Rehwoldt, Miles and Yu, Daiwei and Zachariah, Michael R. and Wang, Chao and {Shahbazian-Yassar}, Reza and Li, Ju and Hu, Liangbing},
  year = {2018},
  month = mar,
  volume = {359},
  pages = {1489--1494},
  issn = {0036-8075},
  doi = {10.1126/science.aan5412},
  file = {/Users/shyue/Zotero/storage/8JPLAZJ9/2018 - Yao et al. - Science.pdf},
  journal = {Science},
  number = {6383}
}

@article{yaoComputationalStudyHydrogen2019,
  title = {A Computational Study of Hydrogen Doping Induced Metal-to-Insulator Transition in {{CaFeO}} {\textsubscript{3}} , {{SrFeO}} {\textsubscript{3}} , {{BaFeO}} {\textsubscript{3}} and {{SmMnO}} {\textsubscript{3}}},
  author = {Yao, Shukai and Yoo, Pilsun and Liao, Peilin},
  year = {2019},
  volume = {21},
  pages = {25397--25405},
  issn = {1463-9076, 1463-9084},
  doi = {10.1039/C9CP04669K},
  abstract = {First principles density functional theory calculations were performed to identify transition metal perovskites CaFeO               3               , SrFeO               3               , BaFeO               3               and SmMnO               3               as promising candidates with large band gap opening upon hydrogen doping.                        ,                             The metal-to-insulator transition (MIT) in rare earth perovskite oxides has drawn significant research interest for decades to unveil the underlying physics and develop novel electronic materials. Recently, chemical doping induced MIT in SmNiO               3               has been observed experimentally, with its resistivity changed by eight orders of magnitude. The mechanism of switching from one singly occupied Ni e               g               orbital to two singly occupied e               g               orbitals upon doping has been proposed by experimentalists and verified by computation. Here, we tested if this mechanism can be generally applied to other perovskite oxides with non-Ni B site elements. We applied first principles density functional theory (DFT) to study a series of perovskite oxides, CaFeO               3               , SrFeO               3               , BaFeO               3               and SmMnO               3               . We investigated the geometry and electronic structures of pure and hydrogen doped oxides. We found that pure CaFeO               3               , SrFeO               3               and BaFeO               3               are metallic while pure SmMnO               3               has a small band gap of 0.69 eV. Upon hydrogen doping, band gap opening was predicted for all four oxides: HSE06 predicted band gap values of 1.58 eV, 1.40 eV, 1.20 eV and 2.55 eV for H-doped CaFeO               3               , SrFeO               3               , BaFeO               3               and SmMnO               3               , respectively. This finding opens up research opportunities for exploring a broader range of materials for MIT to be used in optical and electronic devices.},
  file = {/Users/shyue/Zotero/storage/REJWQTQH/Yao et al. - 2019 - A computational study of hydrogen doping induced m.pdf},
  journal = {Physical Chemistry Chemical Physics},
  language = {en},
  number = {45}
}

@article{yaoMixedPerovskiteBased2015,
  title = {Mixed Perovskite Based on Methyl-Ammonium and Polymeric-Ammonium for Stable and Reproducible Solar Cells},
  author = {Yao, Kai and Wang, Xiaofeng and Li, Fan and Zhou, Lang},
  year = {2015},
  volume = {51},
  pages = {15430--15433},
  issn = {1359-7345},
  doi = {10.1039/C5CC05879A},
  journal = {Chem. Commun.},
  number = {84}
}

@article{yashimaCrystalStructureDiffusion2005,
  title = {Crystal Structure and Diffusion Path in the Fast Lithium-Ion Conductor {{La}}(0.62){{Li}}(0.16){{TiO3}}.},
  author = {Yashima, Masatomo and Itoh, Mitsuru and Inaguma, Yoshiyuki and Morii, Yukio},
  year = {2005},
  month = mar,
  volume = {127},
  pages = {3491--5},
  issn = {0002-7863},
  doi = {10.1021/ja0449224},
  abstract = {We report the results of a neutron powder diffraction study of the La(0.62)Li(0.16)TiO3 perovskite that determined the diffusion path of lithium cations at room temperature. At 77 K, the Li cations are located at the 2c site (Wycoff notation of the Cmmm space group) on the (002) La deficient layer, while, at room temperature, they are spread over a wide area and migrate following the 2c-4f-2c or 2c-2d-2c tie line on the (002) layer. The probability density of Li cations has a minimum between the 2c and 4f or between the 2c and 2d positions on the diffusion path in contrast to the previous reports where the bottleneck has been thought to be located at the 2c, 2d, and 4f positions. On the basis of the present structural model, the Li-cation conductivity is discussed in terms of a two-dimensional bond-percolation model for Li-cation diffusion. It was found that the vacancy at the La site is essential for the Li-cation conduction.},
  file = {/Users/shyue/Zotero/storage/V4ZAZWIV/2005 - Yashima et al. - Journal of the American Chemical Society.pdf},
  journal = {Journal of the American Chemical Society},
  language = {en},
  number = {10},
  pmid = {15755169}
}

@article{yeDeepNeuralNetworks2018,
  title = {Deep Neural Networks for Accurate Predictions of Crystal Stability},
  author = {Ye, Weike and Chen, Chi and Wang, Zhenbin and Chu, Iek-Heng and Ong, Shyue Ping},
  year = {2018},
  month = dec,
  volume = {9},
  pages = {3800},
  issn = {2041-1723},
  doi = {10.1038/s41467-018-06322-x},
  abstract = {Predicting the stability of crystals is one of the central problems in materials science. Today, density functional theory (DFT) calculations remain comparatively expensive and scale poorly with system size. Here we show that deep neural networks utilizing just two descriptors\textemdash the Pauling electronegativity and ionic radii\textemdash can predict the DFT formation energies of C 3 A 2 D 3 O 12 garnets and ABO 3 perovskites with low mean absolute errors (MAEs) of 7\textendash 10 meV atom -1 and 20\textendash 34 meV atom -1 , respectively, well within the limits of DFT accuracy. Further extension to mixed garnets and perovskites with little loss in accuracy can be achieved using a binary encoding scheme, addressing a critical gap in the extension of machine-learning models from fixed stoichiometry crystals to infinite universe of mixedspecies crystals. Finally, we demonstrate the potential of these models to rapidly transverse vast chemical spaces to accurately identify stable compositions, accelerating the discovery of novel materials with potentially superior properties.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/4GVL9FFN/2018 - Ye et al. - Nature Communications(2).pdf},
  journal = {Nature Communications},
  keywords = {corresponding,Science Daily: https://www.sciencedaily.com/releases/2018/09/180918082102.htm,UCSD Press Release: http://jacobsschool.ucsd.edu/news/news_releases/release.sfe?id=2630},
  number = {1}
}

@article{yeHarnessingMaterialsProject2018,
  title = {Harnessing the {{Materials Project}} for Machine-Learning and Accelerated Discovery},
  author = {Ye, Weike and Chen, Chi and Dwaraknath, Shyam and Jain, Anubhav and Ong, Shyue Ping and Persson, Kristin A.},
  year = {2018},
  month = sep,
  volume = {43},
  pages = {664--669},
  issn = {0883-7694},
  doi = {10.1557/mrs.2018.202},
  abstract = {Improvements in computational resources over the last decade are enabling a new era of computational prediction and design of novel materials. The resulting resources are databases such as the Materials Project ( www.materialsproject.org ), which is harnessing the power of supercomputing together with state-of-the-art quantum mechanical theory to compute the properties of all known inorganic materials, to design novel materials, and to make the data available for free to the community, together with online analysis and design algorithms. The current release contains data derived from quantum mechanical calculations for more than 70,000 materials and millions of associated materials properties. The software infrastructure carries out thousands of calculations per week, enabling screening and predictions for both novel solids as well as molecular species with targeted properties. As the rapid growth of accessible computed materials properties continues, the next frontier is harnessing that information for automated learning and accelerated discovery. In this article, we highlight some of the emerging and exciting efforts, and successes, as well as current challenges using descriptor-based and machine-learning methods for data-accelerated materials design.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/VGRQI68T/2018 - Ye et al. - MRS Bulletin.pdf},
  journal = {MRS Bulletin},
  number = {09}
}

@article{yehNanostructuredHighEntropyAlloys2004,
  ids = {yehNanostructuredHighentropyAlloys2004},
  title = {Nanostructured {{High}}-{{Entropy Alloys}} with {{Multiple Principal Elements}}: {{Novel Alloy Design Concepts}} and {{Outcomes}}},
  shorttitle = {Nanostructured {{High}}-{{Entropy Alloys}} with {{Multiple Principal Elements}}},
  author = {Yeh, J.-W. and Chen, S.-K. and Lin, S.-J. and Gan, J.-Y. and Chin, T.-S. and Shun, T.-T. and Tsau, C.-H. and Chang, S.-Y.},
  year = {2004},
  month = may,
  volume = {6},
  pages = {299--303},
  issn = {1438-1656, 1527-2648},
  doi = {10.1002/adem.200300567},
  file = {/Users/shyue/Zotero/storage/IPWUGGYZ/Yeh et al. - 2004 - Nanostructured High-Entropy Alloys with Multiple P.pdf;/Users/shyue/Zotero/storage/P7VFRIFF/2004 - Yeh et al. - Advanced Engineering Materials.pdf},
  journal = {Advanced Engineering Materials},
  language = {en},
  number = {5},
  pmid = {19533682}
}

@article{yehOriginThermalDegradation2012,
  title = {Origin of {{Thermal Degradation}} of {{Sr}} 2\textendash{} x {{Si}} 5 {{N}} 8 :{{Eu}} x {{Phosphors}} in {{Air}} for {{Light}}-{{Emitting Diodes}}},
  author = {Yeh, Chiao-Wen and Chen, Wei-Ting and Liu, Ru-Shi and Hu, Shu-Fen and Sheu, Hwo-Shuenn and Chen, Jin-Ming and Hintzen, Hubertus T},
  year = {2012},
  month = aug,
  volume = {134},
  pages = {14108--14117},
  issn = {0002-7863},
  doi = {10.1021/ja304754b},
  abstract = {The orange-red emitting phosphors based on M 2 Si 5 N 8 :Eu (M = Sr, Ba) are widely utilized in white lightemitting diodes (WLEDs) because of their improvement of the color rendering index (CRI), which is brilliant for warm white light emission. Nitride-based phosphors are adopted in high-performance applications because of their excellent thermal and chemical stabilities. A series of nitridosilicate phosphor compounds, M 2-x Si 5 N 8 :Eu x (M = Sr, Ba), were prepared by solid-state reaction. The thermal degradation in air was only observed in Sr 2-x Si 5 N 8 :Eu x with x = 0.10, but it did not appear in Sr 2-x Si 5 N 8 :Eu x with x = 0.02 and Ba analogue with x = 0.10. This is an unprecedented investigation to study this phenomenon in the stable nitrides. The crystal structural variation upon heating treatment of these compounds was carried out using the in situ XRD measurements. The valence of Eu ions in these compounds was determined by electron spectroscopy for chemical analysis (ESCA) and X-ray absorption near-edge structure (XANES) spectroscopy. The morphology of these materials was examined by transmission electron microscopy (TEM). Combining all results, it is concluded that the origin of the thermal degradation in Sr 2-x Si 5 N 8 :Eu x with x = 0.10 is due to the formation of an amorphous layer on the surface of the nitride phosphor grain during oxidative heating treatment, which results in the oxidation of Eu ions from divalent to trivalent. This study provides a new perspective for the impact of the degradation problem as a consequence of heating processes in luminescent materials.},
  file = {/Users/shyue/Zotero/storage/7GWUA2EC/2012 - Yeh et al. - Journal of the American Chemical Society.pdf},
  journal = {Journal of the American Chemical Society},
  number = {34}
}

@article{yiFlameMadeNanoparticles2016,
  title = {Flame Made Nanoparticles Permit Processing of Dense, Flexible, {{Li}} + Conducting Ceramic Electrolyte Thin Films of Cubic-{{Li}} 7 {{La}} 3 {{Zr}} 2 {{O}} 12 (c-{{LLZO}})},
  author = {Yi, Eongyu and Wang, Weimin and Kieffer, John and Laine, Richard M.},
  year = {2016},
  issn = {2050-7488},
  doi = {10.1039/C6TA04492A},
  file = {/Users/shyue/Zotero/storage/3F8VGW6M/2016 - Yi et al. - J. Mater. Chem. A.pdf},
  journal = {J. Mater. Chem. A}
}

@article{yildirimLocalizedOrderdisorderTransitions2014,
  title = {Localized Order-Disorder Transitions Induced by {{Li}} Segregation in Amorphous {{TiO2}} Nanoparticles},
  author = {Yildirim, Handan and Greeley, Jeffrey P. and Sankaranarayanan, Subramanian K.R.S.},
  year = {2014},
  volume = {6},
  pages = {18962--18970},
  issn = {19448252},
  doi = {10.1021/am5048398},
  abstract = {Li segregation and transport characteristics in amorphous TiO2 nanoparticles (NPs) are studied using molecular dynamics (MD) simulations. A strong intraparticle segregation of Li is observed, and the degree of segregation is found to correlate with Li concentration. With increasing Li concentration, Li diffusivity and segregation are enhanced, and this behavior is tied to the structural response of the NPs with increasing lithiation. The atoms in the amorphous NPs undergo rearrangement in the regions of high Li concentration, introducing new pathways for Li transport and segregation. These localized atomic rearrangements, in turn, induce preferential crystallization near the surfaces of the NPs. Such rich, dynamical responses are not expected for crystalline NPs, where the presence of well-defined lattice sites leads to limited segregation and transport at high Li concentrations. The preferential crystallization in the near-surface region in amorphous NPs may offer enhanced stability and fast Li transport for Li-ion battery applications, in addition to having potentially useful properties for other materials science applications.},
  file = {/Users/shyue/Zotero/storage/H3T3DVB6/2014 - Yildirim, Greeley, Sankaranarayanan - ACS Applied Materials and Interfaces.pdf},
  journal = {ACS Applied Materials and Interfaces},
  keywords = {amorphous titania,diffusion,Li-ion batteries,lithiation,nanoparticle,segregation},
  number = {21},
  pmid = {25303039}
}

@article{yinBregmanIterativeAlgorithms,
  title = {Bregman Iterative Algorithms for 1 -Minimization with Applications to Compressed Sensing},
  author = {Yin, Wotao and Osher, Stanley and Goldfarb, Donald and Darbon, Jerome},
  volume = {1},
  pages = {143---168},
  file = {/Users/shyue/Zotero/storage/LWSGGEY2/Unknown - Yin et al. - SIAM Journal on Imaging Sciences.pdf},
  journal = {SIAM Journal on Imaging Sciences}
}

@article{yinHalidePerovskiteMaterials2015,
  title = {Halide Perovskite Materials for Solar Cells: A Theoretical Review},
  author = {Yin, Wan-Jian and Yang, Ji-Hui and Kang, Joongoo and Yan, Yanfa and Wei, Su-Huai},
  year = {2015},
  volume = {3},
  pages = {8926--8942},
  issn = {2050-7488},
  doi = {10.1039/C4TA05033A},
  abstract = {\textbackslash textlessp\textbackslash textgreaterFirst-principles calculations help to understand the fundamental mechanisms of the emerging perovskite solar cells and guide further developments.\textbackslash textless/p\textbackslash textgreater},
  file = {/Users/shyue/Zotero/storage/H8W7ZXUD/2015 - Yin et al. - J. Mater. Chem. A.pdf},
  journal = {J. Mater. Chem. A},
  number = {17},
  pmid = {24173598}
}

@article{yinInitioModelingRole,
  title = {Ab Initio Modeling of the Role of Local Chemical Short-Range Order on the {{Peierls}} Potential of Screw Dislocations in Body-Centered Cubic High-Entropy Alloys},
  author = {Yin, Sheng and Ding, Jun and Asta, Mark and Ritchie, Robert O},
  pages = {43},
  file = {/Users/shyue/Zotero/storage/B7U2WRXV/Yin et al. - Ab initio modeling of the role of local chemical s.pdf},
  language = {en}
}

@article{yinSodiumTitanateNanotubes2012,
  title = {Sodium Titanate Nanotubes as Negative Electrode Materials for Sodium-Ion Capacitors.},
  author = {Yin, Jiao and Qi, Li and Wang, Hongyu},
  year = {2012},
  month = may,
  volume = {4},
  pages = {2762--8},
  issn = {1944-8252},
  doi = {10.1021/am300385r},
  abstract = {The lithium-based energy storage technology is currently being considered for electric automotive industry and even electric grid storage. However, the hungry demand for vast energy sources in the modern society will conflict with the shortage of lithium resources on the earth. The first alternative choice may be sodium-related materials. Herein, we propose an electric energy storage system (sodium-ion capacitor) based on porous carbon and sodium titanate nanotubes (Na-TNT, Na(+)-insertion compounds) as positive and negative electrode materials, respectively, in conjunction with Na(+)-containing non-aqueous electrolytes. As a low-voltage (0.1-2 V) sodium insertion nanomaterial, Na-TNT was synthesized via a simple hydrothermal reaction. Compared with bulk sodium titanate, the predominance of Na-TNT is the excellent rate performance, which exactly caters to the need for electrochemical capacitors. The sodium-ion capacitors exhibited desirable energy density and power density (34 Wh kg(-1), 889 W kg(-1)). Furthermore, the sodium-ion capacitors had long cycling life (1000 cycles) and high coulombic efficiency ({$\approx$} 98 \% after the second cycle). More importantly, the conception of sodium-ion capacitor has been put forward.},
  journal = {ACS applied materials \& interfaces},
  keywords = {capacitors,materials,nanotubes,negative electrode,sodium titanate,sodium-ion},
  number = {5},
  pmid = {22500466}
}

@article{yinTheoryLatticedynamicalProperties1982,
  title = {Theory of Lattice-Dynamical Properties of Solids: {{Application}} to {{Si}} and {{Ge}}},
  author = {Yin, M. T. and Cohen, Marvin L.},
  year = {1982},
  month = sep,
  volume = {26},
  pages = {3259--3272},
  issn = {0163-1829},
  doi = {10.1103/PhysRevB.26.3259},
  file = {/Users/shyue/Zotero/storage/8NFL7WZH/1982 - Yin, Cohen - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {6}
}

@article{yinTheoryStaticStructural1982,
  title = {Theory of Static Structural Properties, Crystal Stability, and Phase Transformations: {{Application}} to {{Si}} and {{Ge}}},
  author = {Yin, M. T. and Cohen, Marvin L.},
  year = {1982},
  volume = {26},
  pages = {5668--5687},
  issn = {01631829},
  doi = {10.1103/PhysRevB.26.5668},
  abstract = {We demonstrate that not only the static structural properties but also the crystal stability and pressure-induced phase transformations in solids can be accurately described employing an ab initio pseudopotential method within the local-density-functional formalism. With the use of atomic numbers of constituent elements and a subset of crystal structures as the only input information, the calculated structural properties of Si and Ge are in excellent agreement with experiment.},
  file = {/Users/shyue/Zotero/storage/ZSKGK4C5/1982 - Yin, Cohen - Physical Review B(2).pdf},
  journal = {Physical Review B},
  number = {10}
}

@article{yinXrayNeutronDiffraction2006,
  title = {X-Ray/{{Neutron Diffraction}} and {{Electrochemical Studies}} of {{Lithium De}}/{{Re}}-{{Intercalation}} in {{Li}} 1 - x {{Co}} 1/ 3 {{Ni}} 1/3 {{Mn}} 1/3 {{O}} 2 ( x = 0 \textrightarrow{} 1)},
  author = {Yin, S.-C. and Rho, Y.-H. and Swainson, I and Nazar, L F},
  year = {2006},
  volume = {18},
  pages = {1901--1910},
  issn = {0897-4756},
  doi = {10.1021/cm0511769},
  abstract = {X-ray and neutron diffraction studies were carried out on highly ordered (2-3\% Li/Ni exchange) layered Li1-xCo1/3Ni1/3Mn1/3O2 [(1 - x) ) 1.0; 0.8, 0.6, 0.45, 0.30, 0.04] prepared by chemical delithiation and relithiation. The studies reveal that the initial R3hm phase (O3) is maintained up to extraction of 0.70-0.75 Li and exhibits only  1\% change in volume over the range of composition. Additional extraction of Li results in the appearance of the O1 phase (trigonal; P3hm1), which displays a strong contraction in the c axis by 5.3\% and a volume decrease of 7.2\%. Oxygen vacancies were not evident in the completely delithiated material. Re-intercalation of lithium in this phase was relatively irreversible, however, resulting in poorly defined mixtures of the O3 and O1 structures that exhibited a large fraction of stacking faults. In contrast, materials that were not delithiated beyond x ) 0.30 resulted in fully reversible reformation of the original crystalline O3 phase on re-intercalation. Electrochemical cycling under different cutoff voltages were in accord with these observations and suggest an optimum upper cutoff voltage of 4.3-4.4 V.},
  file = {/Users/shyue/Zotero/storage/BN5BLZU9/2006 - Yin et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {2}
}

@article{ylvisakerOrbitalOrderStacking2010,
  title = {Orbital Order, Stacking Defects, and Spin Fluctuations in the p -Electron Molecular Solid {{RbO}}\_\{2\}},
  shorttitle = {Phys. {{Rev}}. {{B}}},
  author = {Ylvisaker, E. R. and Singh, R. R. P. and Pickett, W. E.},
  year = {2010},
  month = may,
  volume = {81},
  pages = {180405},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.81.180405},
  abstract = {We examine magnon and orbiton behavior in localized O2 antibonding molecular {$\pi{_\ast}$} orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two-band Hubbard model with hopping parameters taken from ab initio density-functional calculations. The considerable difference between intraband and interband hoppings leads to a strong coupling between the spin-wave dispersion and the orbital ground state, providing a straightforward way of experimentally determining the orbital ground state from the measured magnon dispersion. The near degeneracy of different orbital ordered states leads to stacking defects which further modulate spin-fluctuation spectra. Proliferation of orbital domains disrupts long-range magnetic order, thus causing a significant reduction in the observed N\'eel temperature.},
  file = {/Users/shyue/Zotero/storage/9NISVNDB/2010 - Ylvisaker, Singh, Pickett - Physical Review B.pdf},
  journal = {Physical Review B},
  keywords = {Molecular orbital LDA+U},
  number = {18}
}

@article{yokokawaThermodynamicStabilitySulfide2015,
  title = {Thermodynamic Stability of Sulfide Electrolyte/Oxide Electrode Interface in Solid-State Lithium Batteries},
  author = {Yokokawa, Harumi},
  year = {2015},
  issn = {01672738},
  doi = {10.1016/j.ssi.2015.05.010},
  file = {/Users/shyue/Zotero/storage/5IDCVQJD/2015 - Yokokawa - Solid State Ionics.pdf},
  journal = {Solid State Ionics},
  keywords = {Chemical potential diagram,electrode interface,electrolyte,Electrolyte-electrode interface,Local equilibrium approximation,solid-state lithium batteries,Solid-state lithium batteries,Sulfide electrolyte,thermodynamic stability,Thermodynamic stability}
}

@article{yonemuraComparativeKineticStudy2004,
  title = {Comparative {{Kinetic Study}} of {{Olivine Li}}[Sub x]{{MPO}}[Sub 4] ({{M}}={{Fe}}, {{Mn}})},
  author = {Yonemura, Masao and Yamada, Atsuo and Takei, Yuki and Sonoyama, Noriyuki and Kanno, Ryoji},
  year = {2004},
  volume = {151},
  pages = {A1352},
  issn = {00134651},
  doi = {10.1149/1.1773731},
  file = {/Users/shyue/Zotero/storage/EB35KMYC/2004 - Yonemura et al. - Journal of The Electrochemical Society.pdf;/Users/shyue/Zotero/storage/HG4PAM6Z/2004 - Yonemura et al. - Journal of The Electrochemical Society(2).pdf},
  journal = {Journal of The Electrochemical Society},
  number = {9}
}

@article{yooLiairRechargeableBattery2011,
  title = {Li-Air Rechargeable Battery Based on Metal-Free Graphene Nanosheet Catalysts.},
  author = {Yoo, Eunjoo and Zhou, Haoshen},
  year = {2011},
  month = apr,
  volume = {5},
  pages = {3020--6},
  issn = {1936-086X},
  doi = {10.1021/nn200084u},
  abstract = {Metal-free graphene nanosheets (GNSs) were examined for use as air electrodes in a Li-air battery with a hybrid electrolyte. At 0.5 mA cm(-1), the GNSs showed a high discharge voltage that was near that of the 20 wt \% Pt/carbon black. This was ascribed to the presence of sp(3) bonding associated with edge and defect sites in GNSs. Moreover, heat-treated GNSs not only provided a similar catalytic activity in reducing oxygen in the air, but also showed a much more-stable cycling performance than GNSs when used in a rechargeable Li-air battery. This improvement resulted from removal of adsorbed functional groups and from crystallization of the GNS surface into a graphitic structure on heat treatment.},
  file = {/Users/shyue/Zotero/storage/TNXZU3KB/2011 - Yoo, Zhou - ACS nano.pdf},
  journal = {ACS nano},
  keywords = {air-electrode,and discharge processes,charge,discharge overpotential,gnss,graphene nanosheets,hybrid electrolyte,li-air battery,remain to be,s oxidation in both,such as carbon},
  number = {4},
  pmid = {21438513}
}

@article{yoonInvestigationLocalStructure2002,
  title = {Investigation of the {{Local Structure}} of the {{LiNi}}[Sub 0.5]{{Mn}}[Sub 0.5]{{O}}[Sub 2] {{Cathode Material}} during {{Electrochemical Cycling}} by {{X}}-{{Ray Absorption}} and {{NMR Spectroscopy}}},
  author = {Yoon, Won-Sub and Paik, Younkee and Yang, Xiao-Qing and Balasubramanian, Mahalingam and McBreen, James and Grey, Clare P.},
  year = {2002},
  volume = {5},
  pages = {A263},
  issn = {10990062},
  doi = {10.1149/1.1513001},
  abstract = {In situ X-ray absorption spectroscopy {$\sim$}XAS! of the Mn and Ni K-edges and 6Li magic angle spinning {$\sim$}MAS! nuclear magnetic resonance {$\sim$}NMR! spectroscopy have been carried out during the first charging and discharging process for the layered LiNi0.5Mn0.5O2 cathode material. The Ni K-edge structure in the X-ray absorption near-edge structure {$\sim$}XANES! spectrum exhibits a rigid positive energy shift with increased Li deintercalation level, while the Mn XANES spectra do not show any substantial energy changes. The Ni edge shifts back reversibly during discharge. Further Li-ion intercalation at ;1 V {$\sim$}vs. Li! could be accomplished by reduction of the Mn41 ions. The 6Li MAS NMR results showed the presence of Li in the Ni21/Mn41 layers, in addition to the expected sites for Li in the lithium layers. All the Li ions in the transition metal layers are removed on the first charge, leaving residual lithium ions in the lithium layers.},
  file = {/Users/shyue/Zotero/storage/P4KC9DRT/2002 - Yoon et al. - Electrochemical and Solid-State Letters.pdf},
  journal = {Electrochemical and Solid-State Letters},
  number = {11}
}

@article{yoonLithiumElectrochemistryCycling2013,
  title = {Lithium Electrochemistry and Cycling Behaviour of Ionic Liquids Using Cyano Based Anions},
  author = {Yoon, Hyun and Lane, George Hamilton and Shekibi, Youssof and Howlett, Patrick C and Forsyth, Maria and Best, Adam S and MacFarlane, D. R.},
  year = {2013},
  volume = {6},
  pages = {979},
  issn = {1754-5692},
  doi = {10.1039/c3ee23753b},
  abstract = {Lithium battery technologies have applications in large-scale energy storage such as grid storage and electric vehicles. Safety, energy density, and cost are very crucial factors in the choice of large scale devices. Currently, mainstream lithium-ion battery electrolytes are based on volatile and flammable organic carbonates which introduce significant safety issues. Ionic liquid (IL) electrolytes, which are inherently non-volatile and non-flammable, offer a safer alternative. Additionally, ILs offer the promise of enabling a rechargeable lithium metal electrode to deliver significant increases in energy. Amongst the various possible cation and anion combinations, ILs using the dicyanamide (DCA) anion, which contain no fluorine reducing cost, offer exceptionally low viscosities and high conductivities \textendash{} highly desirable characteristics for Li electrolyte solvents. We have investigated the ionic liquid Nmethyl- N-butylpyrrolidinium dicyanamide to form lithium battery electrolytes which enable good capacity retention for a lithium metal - LiFePO4 battery with discharge capacities above 130 mAh.g-1 at 50 oC. We also describe solid state electrolytes, based on plastic crystals with the DCA anion, in a lithium metal \textendash{} LiFePO4 battery and demonstrate over 150 mAh.g-1 discharge capacity without any significant capacity fading at 80 oC .},
  journal = {Energy \& Environmental Science},
  number = {3}
}

@article{yoonLocalStructureCation2004,
  title = {Local {{Structure}} and {{Cation Ordering}} in {{O3 Lithium Nickel Manganese Oxides}} with {{Stoichiometry Li}}[{{Ni}}[Sub x]{{Mn}}[Sub (2-x)/3]{{Li}}[Sub (1-2x)/3]]{{O}}[Sub 2]},
  author = {Yoon, Won-Sub and Iannopollo, Steven and Grey, Clare P. and Carlier, Dany and Gorman, John and Reed, John and Ceder, Gerbrand},
  year = {2004},
  volume = {7},
  pages = {A167},
  issn = {10990062},
  doi = {10.1149/1.1737711},
  file = {/Users/shyue/Zotero/storage/Z8E6WE7X/2004 - Yoon et al. - Electrochemical and Solid-State Letters.pdf},
  journal = {Electrochemical and Solid-State Letters},
  number = {7}
}

@article{yooStructuralElectricalCharacterization1998,
  title = {Structural and Electrical Characterization of {{Li}}({{Mn1}}-{{$\delta$Ti$\delta$}}){{2O4}} Electrode Materials},
  author = {Yoo, Kwang Soo and Cho, Nam Woong and Oh, Yong-Joo},
  year = {1998},
  month = dec,
  volume = {113-115},
  pages = {43--49},
  issn = {01672738},
  doi = {10.1016/S0167-2738(98)00365-8},
  file = {/Users/shyue/Zotero/storage/YTZ98LA8/1998 - Yoo, Cho, Oh - Solid State Ionics.pdf},
  journal = {Solid State Ionics},
  keywords = {2 o 4,charge,d,discharge test,impedance spectroscopy,li,lithium manganate,lithium secondary battery,materials,mn 12 d ti},
  number = {1-2}
}

@article{yoshidaIonicLiquidsFormed2009,
  title = {Ionic Liquids Formed with Polycyano 1,1,3,3-Tetracyanoallyl Anions: Substituent Effects of Anions on Liquid Properties.},
  author = {Yoshida, Yukihiro and Kondo, Masatoshi and Saito, Gunzi},
  year = {2009},
  month = jul,
  volume = {113},
  pages = {8960--6},
  issn = {1520-6106},
  doi = {10.1021/jp903242w},
  abstract = {A series of ionic liquids based on five kinds of polycyano 1,1,3,3-tetracyanoallyl anions with 2-substituents having different electron-withdrawing or -donating abilities were prepared. The influence of the chemical modification on their thermal properties, viscosity, ionic conductivity, ion association, and solvatochromic shifts was characterized and compared with the case of previously reported polycyano anions, N(CN)(2)(-) and C(CN)(3)(-). Among the 1-butyl-3-methylimidazolium (BMI) salts, cyano-substituted (i.e., 1,1,2,3,3-pentacyanoallyl anion) salt has the highest melting point (42 degrees C), possibly indicating the importance of high local symmetry over decreased interionic CN...cation interactions due to the limited electron densities on terminal nitrogens of the anions, predicted by ab initio calculations. In the liquid state, methoxy-substituted (i.e., 2-methoxy-1,1,3,3-tetracyanoallyl anion) salt has the highest fluidity and ionic conductivity, associated with the significant conformational degree of freedom in the methoxy group. Although the ion diffusivity has no definite correlation with the Hammett parameter of the substituents, the introduction of electron-withdrawing cyano or cyanomethyl (i.e., 2-cyanomethyl-1,1,3,3-tetracyanoallyl anion) groups leads to the decrease in the degree of ion association and solvent donor ability, which were manifested in the Walden rule deviation and solvatochromic shift, respectively.},
  file = {/Users/shyue/Zotero/storage/AI4TBEQ8/2009 - Yoshida, Kondo, Saito - Journal of Physical Chemistry B.pdf},
  journal = {Journal of Physical Chemistry B},
  number = {26},
  pmid = {19518062}
}

@article{yoshidaNaFe05Co05O22013,
  title = {{{NaFe0}}.{{5Co0}}.{{5O2}} as High Energy and Power Positive Electrode for {{Na}}-Ion Batteries},
  author = {Yoshida, Hiroaki and Yabuuchi, Naoaki and Komaba, Shinichi},
  year = {2013},
  month = sep,
  volume = {34},
  pages = {60--63},
  issn = {13882481},
  doi = {10.1016/j.elecom.2013.05.012},
  file = {/Users/shyue/Zotero/storage/CDG6N48L/2013 - Yoshida, Yabuuchi, Komaba - Electrochemistry Communications.pdf},
  journal = {Electrochemistry Communications}
}

@article{yoshidaOxidativestabilityEnhancementCharge2011,
  title = {Oxidative-Stability Enhancement and Charge Transport Mechanism in Glyme-Lithium Salt Equimolar Complexes.},
  author = {Yoshida, Kazuki and Nakamura, Megumi and Kazue, Yuichi and Tachikawa, Naoki and Tsuzuki, Seiji and Seki, Shiro and Dokko, Kaoru and Watanabe, Masayoshi},
  year = {2011},
  month = aug,
  volume = {133},
  pages = {13121--9},
  issn = {1520-5126},
  doi = {10.1021/ja203983r},
  abstract = {The oxidative stability of glyme molecules is enhanced by the complex formation with alkali metal cations. Clear liquid can be obtained by simply mixing glyme (triglyme or tetraglyme) with lithium bis(trifluoromethylsulfonyl)amide (Li[TFSA]) in a molar ratio of 1:1. The equimolar complex [Li(triglyme or tetraglyme)(1)][TFSA] maintains a stable liquid state over a wide temperature range and can be regarded as a room-temperature ionic liquid consisting of a [Li(glyme)(1)](+) complex cation and a [TFSA](-) anion, exhibiting high self-dissociativity (ionicity) at room temperature. The electrochemical oxidation of [Li(glyme)(1)][TFSA] takes place at the electrode potential of {$\sim$}5 V vs Li/Li(+), while the oxidation of solutions containing excess glyme molecules ([Li(glyme)(x)][TFSA], x \textbackslash textgreater 1) occurs at around 4 V vs Li/Li(+). This enhancement of oxidative stability is due to the donation of lone pairs of ether oxygen atoms to the Li(+) cation, resulting in the highest occupied molecular orbital (HOMO) energy level lowering of a glyme molecule, which is confirmed by ab initio molecular orbital calculations. The solvation state of a Li(+) cation and ion conduction mechanism in the [Li(glyme)(x)][TFSA] solutions is elucidated by means of nuclear magnetic resonance (NMR) and electrochemical methods. The experimental results strongly suggest that Li(+) cation conduction in the equimolar complex takes place by the migration of [Li(glyme)(1)](+) cations, whereas the ligand exchange mechanism is overlapped when interfacial electrochemical reactions of [Li(glyme)(1)](+) cations occur. The ligand exchange conduction mode is typically seen in a lithium battery with a configuration of [Li anode|[Li(glyme)(1)][TFSA]|LiCoO(2) cathode] when the discharge reaction of a LiCoO(2) cathode, that is, desolvation of [Li(glyme)(1)](+) and insertion of the resultant Li(+) into the cathode, occurs at the electrode-electrolyte interface. The battery can be operated for more than 200 charge-discharge cycles in the cell voltage range of 3.0-4.2 V, regardless of the use of ether-based electrolyte, because the ligand exchange rate is much faster than the electrode reaction rate.},
  file = {/Users/shyue/Zotero/storage/AAGJNGHL/2011 - Yoshida et al. - Journal of the American Chemical Society.pdf},
  journal = {Journal of the American Chemical Society},
  number = {33},
  pmid = {21774493}
}

@article{yoshidaP2typeNaNi2014,
  title = {P2-Type {{Na}}(2/3){{Ni}}(1/3){{Mn}}(2/3-x){{Ti}}(x){{O2}} as a New Positive Electrode for Higher Energy {{Na}}-Ion Batteries.},
  author = {Yoshida, Hiroaki and Yabuuchi, Naoaki and Kubota, Kei and Ikeuchi, Issei and Garsuch, Arnd and {Schulz-Dobrick}, Martin and Komaba, Shinichi},
  year = {2014},
  month = apr,
  volume = {50},
  pages = {3677--80},
  issn = {1364-548X},
  doi = {10.1039/c3cc49856e},
  abstract = {New electrode materials of layered oxides, Na2/3Ni1/3Mn2/3-xTixO2 (0 {$\leq$} x {$\leq$} 2/3), are successfully synthesized, and their electrochemical performance is examined in aprotic Na cells. A Na//Na2/3Ni1/3Mn1/2Ti1/6O2 cell delivers 127 mA h g(-1) of reversible capacity and the average voltage reaches 3.7 V at first discharge with good capacity retention.},
  file = {/Users/shyue/Zotero/storage/ADPLY7HT/2014 - Yoshida et al. - Chemical communications (Cambridge, England)(2).pdf},
  journal = {Chemical communications (Cambridge, England)},
  number = {28},
  pmid = {24514951}
}

@article{younesiInfluenceCathodePorosity2011,
  title = {Influence of the Cathode Porosity on the Discharge Performance of the Lithium\textendash Oxygen Battery},
  author = {Younesi, S. Reza and Urbonaite, Sigita and Bj{\"o}refors, Fredrik and Edstr{\"o}m, Kristina},
  year = {2011},
  month = nov,
  volume = {196},
  pages = {9835--9838},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2011.07.062},
  file = {/Users/shyue/Zotero/storage/A6P6JEK6/2011 - Younesi et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  number = {22}
}

@article{younesiLithiumSaltsAdvanced2015,
  title = {Lithium Salts for Advanced Lithium Batteries: {{Li}}\textendash Metal, {{Li}}\textendash{{O}} \textbackslash textlesssub\textbackslash textgreater2\textbackslash textless/Sub\textbackslash textgreater , and {{Li}}\textendash{{S}}},
  author = {Younesi, Reza and Veith, Gabriel M. and Johansson, Patrik and Edstr{\"o}m, Kristina and Vegge, Tejs},
  year = {2015},
  volume = {8},
  pages = {1905--1922},
  issn = {1754-5692},
  doi = {10.1039/C5EE01215E},
  abstract = {\textbackslash textlessp\textbackslash textgreater The critical roles of Li-salts in lithium batteries, particularly Li\textendash metal, Li\textendash O \textbackslash textlesssub\textbackslash textgreater2\textbackslash textless/sub\textbackslash textgreater , and Li\textendash S batteries, are reviewed. \textbackslash textless/p\textbackslash textgreater},
  file = {/Users/shyue/Zotero/storage/UIJACGUJ/2015 - Younesi et al. - Energy Environ. Sci.pdf},
  journal = {Energy Environ. Sci.},
  number = {7}
}

@article{yu.aleshinProtectedAnodesLithiumair2010,
  title = {Protected Anodes for Lithium-Air Batteries},
  author = {Yu. Aleshin, Gleb and a. Semenenko, Dmitry and Belova, Alina I. and Zakharchenko, Tatyana K. and Itkis, Daniil M. and a. Goodilin, Eugene and Tretyakov, Yurii D.},
  year = {2010},
  month = oct,
  volume = {184},
  pages = {62--64},
  issn = {01672738},
  doi = {10.1016/j.ssi.2010.09.018},
  file = {/Users/shyue/Zotero/storage/KHURUCHN/2010 - Yu. Aleshin et al. - Solid State Ionics.pdf},
  journal = {Solid State Ionics},
  keywords = {LAGP,Lithium anode,Lithium-air battery},
  number = {1}
}

@article{yuanChallengesSpinelLi4Ti5O122017,
  title = {Challenges of {{Spinel Li4Ti5O12}} for {{Lithium}}-{{Ion Battery Industrial Applications}}},
  author = {Yuan, Tao and Tan, Zhuopeng and Ma, Chunrong and Yang, Junhe and Ma, Zi Feng and Zheng, Shiyou},
  year = {2017},
  volume = {7},
  issn = {16146840},
  doi = {10.1002/aenm.201601625},
  abstract = {Rechargeable lithium-ion batteries (LIBs) offer the advantages of having great electrical energy storage and increased continuous and pulsed power output capabilities, which enable their applications in grid energy storage and electric vehicles (EVs). For safety, high power and durability considerations, spinel Li4Ti5O12 is one of the most appealing potential candidate as an anode material for power LIBs due to its excellent cycling stability and thermal stability. However, there are still a number of challenges remaining for Li4Ti5O12 battery applications. Herein, an updated overview of the latest advances in Li4Ti5O12 research is provided and key challenges for its future development (i.e., fast-charging, specific capacity, swelling, interface chemistry, matching cathode and electrolyte as well as batteries design and manufacturing) are highlighted.},
  file = {/Users/shyue/Zotero/storage/MX43SC4G/2017 - Yuan et al. - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials},
  keywords = {challenges,industrial applications,lithium-ion batteries,spinel Li4Ti5O12},
  number = {12}
}

@article{yuanTheoryNanoclusterSize2009,
  title = {Theory of {{Nanocluster Size Distributions}} from {{Ion Beam Synthesis}}},
  author = {Yuan, C. W. and Yi, D. O. and Sharp, I. D. and Shin, S. J. and Liao, C. Y. and Guzman, J. and Ager, J. W. and Haller, E. E. and Chrzan, D. C.},
  year = {2009},
  month = apr,
  volume = {102},
  pages = {146101},
  issn = {0031-9007},
  doi = {10.1103/PhysRevLett.102.146101},
  abstract = {Ion beam synthesis of nanoclusters is studied via both kinetic Monte Carlo simulations and the self-consistent mean-field solution to a set of coupled rate equations. Both approaches predict the existence of a steady-state shape for the cluster-size distribution that depends only on a characteristic length determined by the effective diffusion coefficient, the ion solubility, and the volumetric ion flux. The average cluster size in the steady-state regime is determined by the implanted species or matrix interface energy. \textcopyright{} 2009 The American Physical Society.},
  journal = {Physical Review Letters},
  number = {14}
}

@article{yuChargeLocalizationTransport2011,
  title = {Charge {{Localization}} and {{Transport}} in {{Lithiated Olivine Phosphate Materials}}},
  author = {Yu, Jianguo and Rosso, Kevin M and Liu, Jun},
  year = {2011},
  month = dec,
  volume = {115},
  pages = {25001--25006},
  issn = {1932-7447},
  doi = {10.1021/jp204188g},
  abstract = {We report density functional theory (DFT) calculations for olivine-type LiTMPO4 and TMPO4 (TM = Mn, Fe, Co, Ni) structures. TM is typically characterized in terms of localized 2+ or 3+ charge in LiTMPO4 and TMPO4 structures, respectively, in which electron transport would take place by thermally activated hopping of metal-centered small polarons. We assess qualitative relationships between formal TM oxidation states and the static charges on TM and the dependence of small polaron stability on dp rehybridization. We propose an empirical correlation between the ratio of cationic/anionic charge differences (dQTM/dQO) for lithiated and delithiated end members and the relative degree of electron localization on the cationic versus anionic sublattices. Large values of dQTM relative to dQO or a dQTM/dQO value greater than 2 appears consistent with phases that would tend toward stable small polaron formation at TM sites, such as mixed 2+/3+-like oxidation states. If the ratio of dQTM/dQO is smaller than 2 and the magnitudes of the charge differences are small, the system tends to behave more itinerant-like.},
  file = {/Users/shyue/Zotero/storage/59JLYMIZ/2011 - Yu, Rosso, Liu - The Journal of Physical Chemistry C.pdf},
  journal = {The Journal of Physical Chemistry C},
  number = {50}
}

@article{yuHybridDFTFunctionalBased2011,
  title = {Hybrid {{DFT Functional}}-{{Based Static}} and {{Molecular Dynamics Studies}} of {{Excess Electron}} in {{Liquid Ethylene Carbonate}}},
  shorttitle = {J. {{Electrochem}}. {{Soc}}.},
  author = {Yu, Jiamei and Balbuena, Perla B. and Budzien, Joanne and Leung, Kevin},
  year = {2011},
  month = apr,
  volume = {158},
  pages = {A400--A410},
  abstract = {Weapplied static and dynamic hybrid functional density functional theory (DFT)calculations to study the interactions of one and two excesselectrons with ethylene carbonate (EC) liquid and clusters. Optimal structuresof (EC)n and (EC) clusters devoid of Li+ ions, n = 1\textendash 6,were obtained. The excess electron was found to be localizedon a single EC in all cases, and the ECdimeric radical anion exhibits a reduced barrier associated with thebreaking of the ethylene carbon\textendash oxygen covalent bond compared to EC-.In ab initio molecular dynamics (AIMD) simulations of EC- solvatedin liquid EC, large fluctuations in the carbonyl carbon\textendash oxygen bondlengths were observed. AIMD simulations of a two-electron attack onEC in EC liquid and on Li metal surfaces yieldedproducts similar to those predicted using nonhybrid DFT functionals, exceptthat CO release did not occur for all attempted initialconfigurations in the liquid state. \textcopyright 2011 The Electrochemical Society},
  file = {/Users/shyue/Zotero/storage/DWGZM9JN/2011 - Yu et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  keywords = {ab initio calculations,bond lengths,density functional theory,electronic structure,lithium,molecular clusters,molecular dynamics method,organic compounds},
  number = {4}
}

@article{yuInitioInvestigationsPhase2016,
  title = {Ab Initio Investigations of the Phase Stability in Group {{IVB}} and {{VB}} Transition Metal Carbides},
  author = {Yu, Xiao-Xiang and Weinberger, Christopher R. and Thompson, Gregory B.},
  year = {2016},
  month = feb,
  volume = {112},
  pages = {318--326},
  issn = {09270256},
  doi = {10.1016/j.commatsci.2015.10.038},
  abstract = {Using ab-initio calculations, the stability of various stable and metastable group IVB and VB transition metal carbide compounds at ambient pressure and 0 K were investigated. By comparing the formation enthalpy, vacancy diffusion activation energy and generalized stacking fault energy of these phases, the thermodynamic competition between vacancy-ordered and stacking-faulted phase formation mechanisms are seen among the carbides. In general, the group IVB carbides have a higher vacancy migration energy than that of the group VB carbides which could explain the difficulty in experimentally forming such vacancy-ordered phases. In addition, the group IVB carbides do not have a stable intrinsic stacking fault (ISF), which is present in the group VB carbides. This ISF is used to rationalize the absence of such faulted phases in the group IVB carbides but their presence in the group VB carbides.},
  file = {/Users/shyue/Zotero/storage/42YADVWN/Yu et al. - 2016 - Ab initio investigations of the phase stability in.pdf},
  journal = {Computational Materials Science},
  language = {en}
}

@article{yuKineticMonteCarlo2012,
  title = {Kinetic {{Monte Carlo Study}} of {{Ambipolar Lithium Ion}} and {{Electron}}\textendash{{Polaron Diffusion}} into {{Nanostructured TiO}} 2},
  author = {Yu, Jianguo and Sushko, Maria L and Kerisit, Sebastien and Rosso, Kevin M and Liu, Jun},
  year = {2012},
  month = aug,
  volume = {3},
  pages = {2076--2081},
  issn = {1948-7185},
  doi = {10.1021/jz300562v},
  abstract = {Nanostructured titania (TiO2) polymorphs have proved to be promising electrode materials for next-generation lithium ion batteries. However, there is still a lack of understanding of the fundamental microscopic processes that control charge transport in these materials. Here, we present microscopic simulations of the collective dynamics of lithium ion (Li+) and chargecompensating electron-polarons (e-) in rutile TiO2 nanoparticles in contact with an idealized conductive matrix and electrolyte. Kinetic Monte Carlo simulations are used, parametrized by molecular-dynamics-based predictions of activation energy barriers for Li+ and e- diffusion. Simulations reveal the central role of electrostatic coupling between Li+ and e- on their collective drift diffusion at the nanoscale. They also demonstrate that a high contact area between the conductive matrix and rutile nanoparticles leads to undesirable coupling-induced surface saturation effects during Li+ insertion, which limits the overall capacity and conductivity of the material. These results help provide guidelines for design of nanostructured electrode materials with improved electrochemical performance.},
  file = {/Users/shyue/Zotero/storage/BSHPQMWZ/2012 - Yu et al. - The Journal of Physical Chemistry Letters.pdf},
  journal = {The Journal of Physical Chemistry Letters},
  number = {15}
}

@article{yunEuActivatedPhasePure2016,
  title = {Eu 2+ -{{Activated Phase}}-{{Pure Oxonitridosilicate Phosphor}} in a {{Ba}}\textendash{{Si}}\textendash{{O}}\textendash{{N System}} via {{Facile Silicate}}-{{Assisted Routes Designed}} by {{First}}-{{Principles Thermodynamic Simulation}}},
  author = {Yun, Young Jun and Kim, Jin Kyu and Ju, Ji Young and Choi, Seul Ki and Park, Woon Ik and Jung, Ha-kyun and Kim, Yongseon and Choi, Sungho},
  year = {2016},
  month = aug,
  pages = {acs.inorgchem.6b01278},
  issn = {0020-1669},
  doi = {10.1021/acs.inorgchem.6b01278},
  file = {/Users/shyue/Zotero/storage/328DPCZM/2016 - Yun et al. - Inorganic Chemistry.pdf},
  journal = {Inorganic Chemistry}
}

@article{yunHowSimpleAre2015,
  title = {How Simple Are the Models of {{Na}}-Intercalation in Aqueous Media?},
  author = {Yun, Jeongsik and Pfisterer, Jonas and Bandarenka, Aliaksandr},
  year = {2015},
  issn = {1754-5692},
  doi = {10.1039/C5EE03197D},
  file = {/Users/shyue/Zotero/storage/GFRVZHRE/2015 - Yun, Pfisterer, Bandarenka - Energy Environ. Sci.pdf},
  journal = {Energy Environ. Sci.}
}

@article{yuOriginDramaticOxygen2015,
  title = {Origin of Dramatic Oxygen Solute Strengthening Effect in Titanium},
  author = {Yu, Q. and Qi, L. and Tsuru, T. and Traylor, R. and Rugg, D. and Morris, J.W. and Asta, M. and Chrzan, D.C. and Minor, A.M.},
  year = {2015},
  volume = {347},
  issn = {10959203 00368075},
  doi = {10.1126/science.1260485},
  abstract = {Structural alloys are often strengthened through the addition of solute atoms. However, given that solute atoms interact weakly with the elastic fields of screw dislocations, it has long been accepted that solution hardening is only marginally effective in materials with mobile screw dislocations. By using transmission electron microscopy and nanomechanical characterization, we report that the intense hardening effect of dilute oxygen solutes in pure a-Ti is due to the interaction between oxygen and the core of screw dislocations that mainly glide on prismatic planes. First-principles calculations reveal that distortion of the interstitial sites at the screw dislocation core creates a very strong but short-range repulsion for oxygen that is consistent with experimental observations. These results establish a highly effective mechanism for strengthening by interstitial solutes.},
  journal = {Science},
  number = {6222}
}

@article{yuPolysulfideShuttleControlLithiumSulfur2016,
  title = {Polysulfide-{{Shuttle Control}} in {{Lithium}}-{{Sulfur Batteries}} with a {{Chemically}}/{{Electrochemically Compatible NaSICON}}-{{Type Solid Electrolyte}}},
  author = {Yu, Xingwen and Bi, Zhonghe and Zhao, Feng and Manthiram, Arumugam},
  year = {2016},
  month = aug,
  pages = {1601392},
  issn = {16146832},
  doi = {10.1002/aenm.201601392},
  file = {/Users/shyue/Zotero/storage/5CRMJ2BE/2016 - Yu et al. - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials}
}

@article{yuQuaternarySodiumSuperionic2018,
  title = {A Quaternary Sodium Superionic Conductor - {{Na}} 10.8 {{Sn}} 1.9 {{PS}} 11.8},
  author = {Yu, Zhaoxin and Shang, Shun-Li and Gao, Yue and Wang, Daiwei and Li, Xiaolin and Liu, Zi-Kui and Wang, Donghai},
  year = {2018},
  month = may,
  volume = {47},
  pages = {325--330},
  issn = {22112855},
  doi = {10.1016/j.nanoen.2018.01.046},
  abstract = {Sulfide-based Na-ion conductors are promising candidates as solid-state electrolytes (SSEs) for fabrication of solid-state Na-ion batteries (NIBs) because of their high ionic conductivities and low grain boundary resistance. Currently, most of the sulfide-based Na-ion conductors with high conductivities are focused on Na3PS4phases and its derivatives. It is desirable to develop Na-ion conductors with new composition and crystal structure to achieve superior ionic conductivities. Here we report a new quaternary Na-ion conductor, Na10.8Sn1.9PS11.8, exhibiting a high ionic conductivity of 0.67 mS cm-1at 25 \textdegree C. This high ionic conductivity originates from the presence of a large number of intrinsic Na-vacancies and three-dimensional Na-ion conduction pathways, which has been confirmed by single-crystal X-ray diffraction and first-principles calculations. The Na10.8Sn1.9PS11.8phase is further evaluated as an electrolyte in a Na-Sn alloy/TiS2battery, demonstrating its potential application in all-solid-state NIBs.},
  file = {/Users/shyue/Zotero/storage/FKRH8SGR/2018 - Yu et al. - Nano Energy.pdf},
  journal = {Nano Energy},
  keywords = {Ab initio molecular dynamics,Phonon,Single crystal X-ray,Sodium-ion battery,Sodium-ion conductor,Solid-state electrolyte},
  number = {January}
}

@article{yuSegregationinducedOrderedSuperstructures2017,
  title = {Segregation-Induced Ordered Superstructures at General Grain Boundaries in a Nickel-Bismuth Alloy},
  author = {Yu, Zhiyang and Cantwell, Patrick R and Gao, Qin and Yin, Denise and Zhang, Yuanyao and Zhou, Naixie and Rohrer, Gregory S and Widom, Michael and Luo, Jian and Harmer, Martin P},
  year = {2017},
  month = oct,
  volume = {358},
  pages = {97--101},
  issn = {0036-8075},
  doi = {10.1126/science.aam8256},
  file = {/Users/shyue/Zotero/storage/U8RTULJF/2017 - Yu et al. - Science.pdf},
  journal = {Science},
  number = {6359},
  pmid = {28983049}
}

@article{yuUnderstandingDislocationSlip2017,
  title = {Understanding Dislocation Slip in Stoichiometric Rocksalt Transition Metal Carbides and Nitrides},
  author = {Yu, Hang and Bahadori, Mohammadreza and Thompson, Gregory B. and Weinberger, Christopher R.},
  year = {2017},
  month = jun,
  volume = {52},
  pages = {6235--6248},
  issn = {0022-2461, 1573-4803},
  doi = {10.1007/s10853-017-0857-4},
  abstract = {The slip systems for B1 MX compounds (M=Ti, Zr, Hf, V, Nb, Ta and X=C, N) have been studied extensively both experimentally and computationally as they influence the materials mechanical behavior at both high and low temperatures. Despite many investigations, the differences in observed slip systems, either f111g or f110g, in these materials remain an open question. In this paper, the factors that may determine the slip preference of these compounds have been studied based on the results from first principle calculations. The generalized stacking fault surfaces for all of the materials were computed and used to provide a more comprehensive understanding of slip plane choices. Through analysis of this data, it is found that among different indicators of slip, the normalized splitting width and the intrinsic stacking fault energy are the most useful indicators of the choice of slip planes in these materials. In addition, these indicators of slip are controlled by the structural energy differences between the B1 and tungsten carbides structures, which are correlated well with the number of valence electrons.},
  file = {/Users/shyue/Zotero/storage/YIVYTE37/Yu et al. - 2017 - Understanding dislocation slip in stoichiometric r.pdf},
  journal = {Journal of Materials Science},
  language = {en},
  number = {11}
}

@article{zaburdaevSpaceTimeVelocityCorrelation2013,
  title = {Space-{{Time Velocity Correlation Function}} for {{Random Walks}}},
  author = {Zaburdaev, V. and Denisov, S. and H{\"a}nggi, P.},
  year = {2013},
  month = apr,
  volume = {110},
  pages = {170604},
  issn = {0031-9007},
  doi = {10.1103/PhysRevLett.110.170604},
  abstract = {Space-time correlation functions constitute a useful instrument from the research toolkit of continuousmedia and many-body physics. Here we adopt this concept for single-particle random walks and demonstrate that the corresponding space-time velocity autocorrelation functions reveal correlations which extend in time much longer than estimated with the commonly employed temporal correlation functions. A generic feature of considered random-walk processes is an effect of velocity echo identified by the existence of time-dependent regions where most of the walkers are moving in the direction opposite to their initial motion. We discuss the relevance of the space-time velocity correlation functions for the experimental studies of cold atom dynamics in an optical potential and charge transport on micro- and nanoscales.},
  journal = {Physical Review Letters},
  number = {17}
}

@article{zachmanCryoSTEMMappingSolid2018,
  title = {Cryo-{{STEM}} Mapping of Solid\textendash Liquid Interfaces and Dendrites in Lithium-Metal Batteries},
  author = {Zachman, Michael J. and Tu, Zhengyuan and Choudhury, Snehashis and Archer, Lynden A. and Kourkoutis, Lena F.},
  year = {2018},
  volume = {560},
  pages = {345--349},
  issn = {0028-0836},
  doi = {10.1038/s41586-018-0397-3},
  abstract = {Solid\textendash liquid interfaces are important in a range of chemical, physical and biological processes1\textendash 4, but are often not fully understood owing to the lack of high-resolution characterization methods that are compatible with both solid and liquid components5. For example, the related processes of dendritic deposition of lithium metal and the formation of solid\textendash electrolyte interphase layers6,7 are known to be key determinants of battery safety and performance in high-energy-density lithium-metal batteries. But exactly what is involved in these two processes, which occur at a solid\textendash liquid interface, has long been debated8\textendash 11 because of the challenges of observing such interfaces directly. Here we adapt a technique that has enabled cryo-transmission electron microscopy (cryo-TEM) of hydrated specimens in biology\textemdash immobilization of liquids by rapid freezing, that is, vitrification12. By vitrifying the liquid electrolyte we preserve it and the structures at solid\textendash liquid interfaces in lithium-metal batteries in their native state, and thus enable structural and chemical mapping of these interfaces by cryo-scanning transmission electron microscopy (cryo-STEM). We identify two dendrite types coexisting on the lithium anode, each with distinct structure and composition. One family of dendrites has an extended solid\textendash electrolyte interphase layer, whereas the other unexpectedly consists of lithium hydride instead of lithium metal and may contribute disproportionately to loss of battery capacity. The insights into the formation of lithium dendrites that our work provides demonstrate the potential of cryogenic electron microscopy for probing nanoscale processes at intact solid\textendash liquid interfaces in functional devices such as rechargeable batteries.},
  file = {/Users/shyue/Zotero/storage/9EVS8QDI/2018 - Zachman et al. - Nature.pdf},
  journal = {Nature},
  keywords = {Applied physics,Batteries,Energy},
  number = {7718}
}

@article{zaghibCharacterizationNabasedPhosphate2011,
  title = {Characterization of {{Na}}-Based Phosphate as Electrode Materials for Electrochemical Cells},
  author = {Zaghib, K. and Trottier, J. and Hovington, P. and Brochu, F. and Guerfi, A. and Mauger, A. and Julien, C.M.},
  year = {2011},
  month = nov,
  volume = {196},
  pages = {9612--9617},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2011.06.061},
  abstract = {We report the electrochemical properties of submicron-sized particles of NaFePO4. Two materials have been studied and characterized by XRD, SEM, EDX, EIS and Raman experiments: the maricite phase synthesized by hydrothermal method and the olivine phase obtained from delithiation of LiFePO4. NaFePO4 materials have an electrochemical activity in Na cell using NaPF6\textendash EC\textendash DEC electrolyte, but only in the heterosite phase, and the capacity is reduced already in the second cycle. The two-phase system at intermediate compositions has also been analyzed.},
  file = {/Users/shyue/Zotero/storage/7PHVBJLL/2011 - Zaghib et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  number = {22}
}

@article{zaghibElectrochemicalStudyLi4Ti5O121999,
  title = {Electrochemical Study of {{Li4Ti5O12}} as Negative Electrode for {{Li}}-Ion Polymer Rechargeable Batteries},
  author = {Zaghib, K and Simoneau, M and Armand, M and Gauthier, M},
  year = {1999},
  month = sep,
  volume = {81-82},
  pages = {300--305},
  issn = {03787753},
  doi = {10.1016/S0378-7753(99)00209-8},
  abstract = {Li4Ti5O12 a zero-strain insertion material was prepared by conventional method and by high energy ball milling HEBM. of precursor to form nanocrystalline phases. The electrochemical performance of solid-state negative electrode was carried out using a solvent-free solid polymer electrolyte at 608C and 808C. A Li4Ti5O12 vs. lithium cell discharged at Cr12 delivered 155 mA h gy1 for the conventional method and 157 mA h gy1 for the method using high ball energy milling, corresponding respectively to 97\% and 96\% first-cycle coulombic efficiency. The chemical diffusion coefficient of Li4Ti5O12 spinel-type compound is about 2=10y8 cm2 sy1. This is one order of magnitude higher than that of carbonaceous negative electrodes. Li4Ti5O12, which is a zero-strain insertion material, offers advantage for the SPE cell including safety, long life, and reliability.},
  file = {/Users/shyue/Zotero/storage/ZWKWELSX/1999 - Zaghib et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  keywords = {anode,li 4 ti 5,li-ion batteries,o 12,spe}
}

@article{zaghibElectronicOpticalMagnetic2007,
  title = {Electronic, {{Optical}}, and {{Magnetic Properties}} of {{LiFePO}} 4 : {{Small Magnetic Polaron Effects}}},
  author = {Zaghib, K. and Mauger, a. and Goodenough, J. B. and Gendron, F. and Julien, C. M.},
  year = {2007},
  month = jul,
  volume = {19},
  pages = {3740--3747},
  issn = {0897-4756},
  doi = {10.1021/cm0710296},
  file = {/Users/shyue/Zotero/storage/5MX2LAT3/2007 - Zaghib et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {15}
}

@article{zahrtPredictionHigherselectivityCatalysts2019,
  title = {Prediction of Higher-Selectivity Catalysts by Computer-Driven Workflow and Machine Learning},
  author = {Zahrt, Andrew F and Henle, Jeremy J and Rose, Brennan T and Wang, Yang and Darrow, William T and Denmark, Scott E},
  year = {2019},
  month = jan,
  volume = {363},
  pages = {eaau5631},
  issn = {0036-8075},
  doi = {10.1126/science.aau5631},
  abstract = {Catalyst design in asymmetric reaction development has traditionally been driven by empiricism, wherein experimentalists attempt to qualitatively recognize structural patterns to improve selectivity. Machine learning algorithms and chemoinformatics can potentially accelerate this process by recognizing otherwise inscrutable patterns in large datasets. Herein we report a computationally guided workflow for chiral catalyst selection using chemoinformatics at every stage of development. Robust molecular descriptors that are agnostic to the catalyst scaffold allow for selection of a universal training set on the basis of steric and electronic properties. This set can be used to train machine learning methods to make highly accurate predictive models over a broad range of selectivity space. Using support vector machines and deep feed-forward neural networks, we demonstrate accurate predictive modeling in the chiral phosphoric acid\textendash catalyzed thiol addition to N -acylimines.},
  file = {/Users/shyue/Zotero/storage/EBG5GFT4/2019 - Zahrt et al. - Unknown.pdf},
  journal = {Science},
  number = {6424},
  pmid = {30655414}
}

@article{zaitsevThermodynamicPropertiesPhaseEquilibria1995,
  title = {Thermodynamic \{\vphantom\}{{P}}\vphantom\{\}roperties and \{\vphantom\}{{P}}\vphantom\{\}hase-\{\vphantom\}{{E}}\vphantom\{\}quilibria in the \{\vphantom\}{{F}}\vphantom\{\}e-\{\vphantom\}{{P}}\vphantom\{\} \{\vphantom\}{{S}}\vphantom\{\}ystem},
  author = {Zaitsev, A I and Dobrokhotova, Zh. V and Litvina, A D and Mogutnov, B M},
  year = {1995},
  volume = {91},
  pages = {703--712},
  journal = {J. Chem. Soc., Faraday Trans.}
}

@article{zandbergenSodiumIonOrdering2004,
  title = {Sodium Ion Ordering in {{NaxCoO2}}: {{Electron}} Diffraction Study},
  author = {Zandbergen, H. and Foo, M. and Xu, Q. and Kumar, V. and Cava, R.},
  year = {2004},
  month = jul,
  volume = {70},
  pages = {1--8},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.70.024101},
  abstract = {The layered sodium cobalt oxide NaxCoO2 is studied by electron diffraction for a wide range of sodium contents, 0.15,x,0.75. An extensive series of ordered Na ion-Na vacancy superlattices is found beyond the simple hexagonal average structure. The most strongly developed superlattice is found for the composition Na0.5CoO2, which displays Co3+/Co4+ charge ordering at low temperatures. The structural principle for some of the observed ordering schemes, particularly near x=0.5, is, surprisingly, the presence of lines of Na ions and vacancies rather than simply maximized Na-Na separations.},
  file = {/Users/shyue/Zotero/storage/WNAQ4FJZ/2004 - Zandbergen et al. - Physical Review B.pdf;/Users/shyue/Zotero/storage/ZYZGB92R/2004 - Zandbergen et al. - Physical Review B(2).pdf},
  journal = {Physical Review B},
  number = {2}
}

@article{zaniniAlternateSynthesisReflectivity1978,
  title = {Alternate Synthesis and Reflectivity Spectrum of Stage 1 Lithium\textemdash Graphite Intercalation Compound},
  author = {Zanini, M. and Basu, S. and Fischer, J.E.},
  year = {1978},
  month = jan,
  volume = {16},
  pages = {211--212},
  issn = {00086223},
  doi = {10.1016/0008-6223(78)90026-X},
  file = {/Users/shyue/Zotero/storage/NK4734PK/1978 - Zanini, Basu, Fischer - Carbon.pdf},
  journal = {Carbon},
  number = {3}
}

@article{zatovskyNASICONtypeNaPO2010,
  title = {{{NASICON}}-Type {{Na}} 3 {{V}} 2 ({{PO}} 4 ) 3},
  author = {Zatovsky, Igor V.},
  year = {2010},
  month = jan,
  volume = {66},
  pages = {i12--i12},
  issn = {1600-5368},
  doi = {10.1107/S1600536810002801},
  abstract = {Single crystals of the title compound, trisodium divanadium(III) tris(orthophosphate), were grown from a self-flux in the system Na4P2O7-NaVP2O7. Na3V2(PO4)3 belongs to the family of NASICON-related structures and is built up from isolated [VO6] octahedra (3. symmetry) and [PO4] tetrahedra (.2 symmetry) interlinked via corners to establish the framework anion [V2(PO4)3]3-. The two independent Na+ cations are partially occupied [site-occupancy factors = 0.805 (18) and 0.731 (7)] and are located in channels with two different oxygen environments, viz sixfold coordination for the first (\$\textbackslash backslash\$overline\{3\}. symmetry) and eightfold for the second (.2 symmetry) Na+ cation.},
  file = {/Users/shyue/Zotero/storage/APYSI7I9/2010 - Zatovsky - Acta Crystallographica Section E Structure Reports Online.pdf},
  journal = {Acta Crystallographica Section E Structure Reports Online},
  number = {2}
}

@article{zebarjadiPerspectivesThermoelectricsFundamentals2012,
  title = {Perspectives on Thermoelectrics: From Fundamentals to Device Applications},
  author = {Zebarjadi, M. and Esfarjani, K. and Dresselhaus, M. S. and Ren, Z. F. and Chen, G.},
  year = {2012},
  volume = {5},
  pages = {5147},
  issn = {1754-5692},
  doi = {10.1039/c1ee02497c},
  abstract = {This review is an update of a previous review (A. J. Minnich, et al., Energy Environ. Sci., 2009, 2, 466) published two years ago by some of the co-authors, focusing on progress made in thermoelectrics over the past two years on charge and heat carrier transport, strategies to improve the thermoelectric figure of merit, with new discussions on device physics and applications, and assessing challenges on these topics. Understanding of phonon transport in bulk materials has advanced significantly as the firstprinciples calculations are applied to thermoelectric materials, and experimental tools are being developed. Some new strategies have been developed to improve electron transport in thermoelectric materials. Fundamental questions on phonon and electron transport across interfaces and in thermoelectric materials remain. With thermoelectric materials reaching high ZT values well above one, the field is ready to take a step forward and go beyond the materials' figure of merit. Developing device contacts and module fabrication techniques, developing a platform for efficiency measurements, and identifying applications are becoming increasingly important for the future of thermoelectrics.},
  journal = {Energy \& Environmental Science},
  number = {1}
}

@article{zelenyNoncollinearMagnetismManganese2009,
  title = {Noncollinear Magnetism in Manganese Nanostructures},
  author = {Zelen{\'y}, Martin and {\v S}ob, Mojmir and Hafner, J{\"u}rgen},
  year = {2009},
  volume = {80},
  issn = {10980121},
  doi = {10.1103/PhysRevB.80.144414},
  abstract = {We present ab initio spin-density-functional calculations of the magnetic properties of Mn nanostructures with a geometry varying between a straight linear wire and a three-dimensional nanorod, including collinear and noncollinear, commensurate and incommensurate magnetic configurations. With decreasing tension along the axis of the nanostructure we find a series of transitions first from a straight to a zigzag wire, then to planar triangular or hexagonal stripes and further to a nanorod consisting of a periodic stacking of distorted octahedra. At local equilibrium all nanostructures are in a high-moment state, with absolute values of the local magnetic moments per atom varying between 3.79 3.54 B for a triangular collinear antiferromagnetic stripe, 3.40 stripe, and 2.96 B for a straight noncollinear antiferromagnetic Mn monowire, B for a hexagonal collinear ferrimagnetic B for an octahedral noncollinear ferrimagnetic nanorod. For all low-dimensional nanostruc- tures except the monowire we find collinear and noncollinear magnetic structures to be energetically nearly degenerate, if the geometric and magnetic degrees of freedom are relaxed simultaneously. The energetic consequences of a modest change in the interatomic distances are comparable to those of a large canting of the magnetic moments. Compression of the nanostructures leads to a decrease in the magnetic moments.},
  journal = {Physical Review B - Condensed Matter and Materials Physics},
  number = {14}
}

@article{zelerNewPhotoluminescentFeature2016,
  title = {A New Photoluminescent Feature in {{LuPO}} 4 :{{Eu}} Thermoluminescent Sintered Materials},
  author = {Zeler, J. and Cybi{\'n}ska, J. and Zych, E.},
  year = {2016},
  volume = {6},
  pages = {57920--57928},
  issn = {2046-2069},
  doi = {10.1039/C6RA09588G},
  journal = {RSC Adv.},
  number = {63}
}

@article{zengFirstPrinciplesBasedPrediction2015,
  title = {Towards {{First Principles}}-{{Based Prediction}} of {{Highly Accurate Electrochemical Pourbaix Diagrams}}},
  author = {Zeng, Zhenhua and Chan, Maria K. Y. and Zhao, Zhi-Jian and Kubal, Joseph and Fan, Dingxin and Greeley, Jeffrey},
  year = {2015},
  pages = {150730095750008},
  issn = {1932-7447},
  doi = {10.1021/acs.jpcc.5b03169},
  file = {/Users/shyue/Zotero/storage/RRXDCVSZ/2015 - Zeng et al. - The Journal of Physical Chemistry C.pdf},
  journal = {The Journal of Physical Chemistry C}
}

@article{zengNaIn3S5NewCompound2015,
  title = {{{NaIn3S5}}, a New Compound from the {{CaS}}-{{In2S3}}/{{NaBr}} System},
  author = {Zeng, Hui Yi and Zhang, Ming Jian and Liu, Bin Wen and Ye, Ning and Zhao, Zhong Yan and Zheng, Fa Kun and Guo, Guo Cong and Huang, Jin Shun},
  year = {2015},
  volume = {624},
  pages = {279--283},
  issn = {09258388},
  doi = {10.1016/j.jallcom.2014.11.039},
  abstract = {A new compound NaIn3S5 has been obtained in the CaS-In2S3/NaBr system via a reactive flux method. NaIn3S5 crystallizes in the orthorhombic space group Pbam (No. 55) with a = 12.4963(8) \textbackslash AA, b = 16.0811(10) \textbackslash AA, c = 3.8041(2) \textbackslash AA, and Z = 4. The NaIn3S5 structure is characterized by a three dimensional framework consisting of interconnected tripartite-octahedral [In3S8]{$\infty$}1 infinite chains, with Na+ cations residing in the one-dimensional channels along the c direction defined by S(1), S(2), S(3) and S(4) atoms. The optical reflectance measurement shows a band gap of 2.18 eV for NaIn3S5. Electronic structure calculation by the CASTEP code not only indicates that NaIn3S5 is an indirect band gap semiconductor, but also explains why its experimental band gap is close to that of {$\beta$}-In2S3.},
  file = {/Users/shyue/Zotero/storage/IMUDDTGH/2015 - Zeng et al. - Journal of Alloys and Compounds.pdf},
  journal = {Journal of Alloys and Compounds},
  keywords = {Band gap,Crystal growth,Crystal structure,Electronic structure,Flux}
}

@article{zengReviewPhotocatalyticCO2018,
  title = {A Review on Photocatalytic {{CO}} {\textsubscript{2}} Reduction Using Perovskite Oxide Nanomaterials},
  author = {Zeng, Sheng and Kar, Piyush and Thakur, Ujwal Kumar and Shankar, Karthik},
  year = {2018},
  month = feb,
  volume = {29},
  pages = {052001},
  issn = {0957-4484, 1361-6528},
  doi = {10.1088/1361-6528/aa9fb1},
  abstract = {As the search for efficient catalysts for CO2 photoreduction continues, nanostructured perovskite oxides have emerged as a class of high-performance photocatalytic materials. The perovskite oxide candidates for CO2 photoreduction are primarily nanostructured forms of titanates, niobates, tantalates and cobaltates. These materials form the focus of this review article because they are much sought-after due to their nontoxic nature, adequate chemical stability, and tunable crystal structures, bandgaps and surface energies. As compared to conventional semiconductors and nanomaterial catalysts, nanostructured perovskite oxides also exhibit an extended optical-absorption edge, longer charge carrier lifetimes, and favorable band-alignment with respect to reduction potential of activated CO2 and reduction products of the same. While CO2 reduction product yields of several hundred {$\mu$}mol-1 h-1 are observed with many types of perovskite oxide nanomaterials in stand-alone forms, yield of such quantities are not common with semiconductor nanomaterials of other types. In this review, we present current state-of-the-art synthesis methods to form perovskite oxide nanomaterials, and procedures to engineer their bandgaps. This review also presents a comprehensive summary and discussion on crystal structures, defect distribution, morphologies and electronic properties of the perovskite oxides, and correlation of these properties to CO2 photoreduction performance. This review offers researchers key insights for developing advanced perovskite oxides in order to further improve the yields of CO2 reduction products.},
  file = {/Users/shyue/Zotero/storage/5XQZ8Z4E/Zeng et al. - 2018 - A review on photocatalytic CO sub2sub reducti.pdf},
  journal = {Nanotechnology},
  language = {en},
  number = {5}
}

@book{Zenodo,
  title = {Zenodo}
}

@article{zepeda-ruizAtomisticInsightsMetal2020,
  title = {Atomistic Insights into Metal Hardening},
  author = {{Zepeda-Ruiz}, Luis A. and Stukowski, Alexander and Oppelstrup, Tomas and Bertin, Nicolas and Barton, Nathan R. and Freitas, Rodrigo and Bulatov, Vasily V.},
  year = {2020},
  month = oct,
  issn = {1476-1122, 1476-4660},
  doi = {10.1038/s41563-020-00815-1},
  file = {/Users/shyue/Zotero/storage/FLFWM7XB/Zepeda-Ruiz et al. - 2020 - Atomistic insights into metal hardening.pdf},
  journal = {Nature Materials},
  language = {en}
}

@article{zepeda-ruizProbingLimitsMetal2017,
  title = {Probing the Limits of Metal Plasticity with Molecular Dynamics Simulations},
  author = {{Zepeda-Ruiz}, Luis A. and Stukowski, Alexander and Oppelstrup, Tomas and Bulatov, Vasily V.},
  year = {2017},
  month = oct,
  volume = {550},
  pages = {492--495},
  issn = {0028-0836, 1476-4687},
  doi = {10.1038/nature23472},
  file = {/Users/shyue/Zotero/storage/CS6S7CKB/Zepeda-Ruiz et al. - 2017 - Probing the limits of metal plasticity with molecu.pdf},
  journal = {Nature},
  language = {en},
  number = {7677}
}

@article{zhangAqueousLithiumAir2011,
  title = {Aqueous {{Lithium}}/{{Air Rechargeable Batteries}}},
  author = {Zhang, Tao and Imanishi, Nobuyuki and Takeda, Yasuo and Yamamoto, Osamu},
  year = {2011},
  volume = {40},
  pages = {668--673},
  issn = {1348-0715},
  doi = {10.1246/cl.2011.668},
  file = {/Users/shyue/Zotero/storage/J2275UT3/2011 - Zhang et al. - Chemistry Letters.pdf},
  journal = {Chemistry Letters},
  number = {7}
}

@article{zhangComparisonDFTMethods2007,
  title = {Comparison of {{DFT}} Methods for Molecular Orbital Eigenvalue Calculations},
  author = {Zhang, G and Musgrave, C B},
  year = {2007},
  month = mar,
  volume = {111},
  pages = {1554--1561},
  issn = {1089-5639},
  doi = {10.1021/jp061633o},
  abstract = {We report how closely the Kohn-Sham highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) eigenvalues of 11 density functional theory (DFT) functionals, respectively, correspond to the negative ionization potentials (-IPs) and electron affinities (EAs) of a test set of molecules. We also report how accurately the HOMO-LUMO gaps of these methods predict the lowest excitation energies using both time-independent and time-dependent DFT (TD-DFT). The 11 DFT functionals include the local spin density approximation (LSDA), five generalized gradient approximation (GGA) functionals, three hybrid GGA functionals, one hybrid functional, and one hybrid meta GGA functional. We find that the HOMO eigenvalues predicted by KMLYP, BH\$\textbackslash backslash\$\&HLYP, B3LYP, PW91, PBE, and BLYP predict the -IPs with average absolute errors of 0.73, 1.48, 3.10, 4.27, 4.33, and 4.41 eV, respectively. The LUMOs of all functionals fail to accurately predict the EAs. Although the GGA functionals inaccurately predict both the HOMO and LUMO eigenvalues, they predict the HOMO-LUMO gap relatively accurately (similar to 0.73 eV). On the other hand, the LUMO eigenvalues of the hybrid functionals fail to predict the EA to the extent that they include HF exchange, although increasing HF exchange improves the correspondence between the HOMO eigenvalue and -IP so that the HOMO-LUMO gaps are inaccurately predicted by hybrid DFT functionals. We find that TD-DFT with all functionals accurately predicts the HOMO-LUMO gaps. A linear correlation between the calculated HOMO eigenvalue and the experimental -IP and calculated HOMO-LUMO gap and experimental lowest excitation energy enables us to derive a simple correction formula.},
  file = {/Users/shyue/Zotero/storage/P8JZMY5E/2007 - Zhang, Musgrave - Journal of Physical Chemistry A.pdf},
  journal = {Journal of Physical Chemistry A},
  pmid = {17279730}
}

@article{zhangComputationThermodynamicOxidation2001,
  title = {Computation of {{Thermodynamic Oxidation Potentials}} of {{Organic Solvents Using Density Functional Theory}}},
  author = {Zhang, Xuerong and Pugh, James K. and Ross, Philip N.},
  year = {2001},
  volume = {148},
  pages = {E183},
  issn = {00134651},
  doi = {10.1149/1.1362546},
  file = {/Users/shyue/Zotero/storage/GF9XLM44/2001 - Zhang, Pugh, Ross - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {5}
}

@article{zhangDeepPotentialMolecular2017,
  title = {Deep {{Potential Molecular Dynamics}}: A Scalable Model with the Accuracy of Quantum Mechanics},
  author = {Zhang, Linfeng and Han, Jiequn and Wang, Han and Car, Roberto and E, Weinan},
  year = {2017},
  month = jul,
  pages = {1--18},
  abstract = {We introduce a new scheme for molecular simulations, based on a many-body potential and interatomic forces generated by a deep neural network trained with ab initio data. We show that the proposed scheme, which we call Deep Potential Molecular Dynamics (DeePMD), provides an efficient and accurate protocol in a variety of systems, including bulk materials and molecules. In all these cases, DeePMD gives results that are essentially indistinguishable from the original data, at a cost that scales linearly with system size. Moreover, in a few test cases, DeePMD shows good structural transferability to thermodynamic conditions not included in the original training data.},
  file = {/Users/shyue/Zotero/storage/MQFEE7YF/2017 - Zhang et al. - Unknown.pdf}
}

@article{zhangEffectQuaternaryAmmonium2011,
  title = {The Effect of Quaternary Ammonium on Discharge Characteristic of a Non-Aqueous Electrolyte {{Li}}/{{O2}} Battery},
  author = {Zhang, Sheng S. and Foster, Donald and Read, Jeffrey},
  year = {2011},
  month = jan,
  volume = {56},
  pages = {1283--1287},
  issn = {00134686},
  doi = {10.1016/j.electacta.2010.10.052},
  file = {/Users/shyue/Zotero/storage/643B69IB/2011 - Zhang, Foster, Read - Electrochimica Acta.pdf},
  journal = {Electrochimica Acta},
  number = {3}
}

@article{zhangEfficientFirstprinciplesPrediction2017,
  title = {Efficient First-Principles Prediction of Solid Stability: {{Towards}} Chemical Accuracy},
  author = {Zhang, Yubo and Chen, Tina and Dacek, Stephen T and {Sarmoento-Perez}, Rafael A and Marques, Miguel and Peng, Haowei and Ceder, Gerbrand and Perdew, John P and Sun, Jianwei},
  year = {2017},
  issn = {2057-3960},
  doi = {10.1038/s41524-018-0065-z},
  file = {/Users/shyue/Zotero/storage/UDQ9HDZ5/2017 - Zhang et al. - Under Review.pdf},
  journal = {Under Review},
  number = {August 2017}
}

@article{zhangElectrochemicalInfraredStudies2001,
  title = {Electrochemical and {{Infrared Studies}} of the {{Reduction}} of {{Organic Carbonates}}},
  shorttitle = {J. {{Electrochem}}. {{Soc}}.},
  author = {Zhang, Xuerong and Kostecki, Robert and Richardson, Thomas J. and Pugh, James K. and Ross, Jr.},
  year = {2001},
  month = dec,
  volume = {148},
  pages = {A1341--A1345},
  abstract = {Thereduction potentials of five organic carbonates commonly employed in lithiumbattery electrolytes, ethylene carbonate (EC), propylene carbonate (PC), diethyl carbonate(DEC), dimethyl carbonate (DMC), and vinylene carbonate (VC) were determinedby cyclic voltammetry using inert (Au or glassy carbon) electrodesin tetrahydrofuran/LiClO4 supporting electrolyte. The reduction potentials for all fiveorganic carbonates were above 1 V (vs. Li/Li + ). PC reductionwas observed to have a significant kinetic hindrance. The measuredreduction potentials for EC, DEC, and PC were consistent withthermodynamic values calculated using density functional theory (DFT) assuming one-electronreduction to the radical anion. The experimental values for VCand DMC were, however, much more positive than the calculatedvalues, which we attribute to different reaction pathways. The roleof VC as an additive in a PC-based electrolyte wasinvestigated using conventional constant-current cycling combined with ex situ infraredspectroscopy and in situ atomic force microscopy (AFM). We confirmedstable cycling of a commercial li-ion battery carbon anode ina PC-based electrolyte with 5 mol \% VC added. Thepreferential reduction of VC and the solid electrolyte interphase layerformation therefrom appears to inhibit PC cointercalation and subsequent graphiteexfoliation. \textcopyright 2001 The Electrochemical Society. All rights reserved.},
  file = {/Users/shyue/Zotero/storage/KERNH7EW/2001 - Zhang et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  keywords = {atomic force microscopy,Fourier transform spectra,infrared spectra,organic compounds,reduction (chemical),secondary cells,solid electrolytes,surface structure,voltammetry (chemical analysis)},
  number = {12}
}

@article{zhangEnergeticLandscapeDiffusion2013,
  title = {Energetic Landscape and Diffusion of {{He}} in {$\alpha$}-{{Fe}} Grain Boundaries from First Principles},
  author = {Zhang, Lei and Fu, Chu-Chun and Lu, Guang-Hong},
  year = {2013},
  month = apr,
  volume = {87},
  pages = {134107},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.87.134107},
  file = {/Users/shyue/Zotero/storage/QLEAGKXV/2013 - Zhang, Fu, Lu - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {13}
}

@article{zhangEnhancedElectrochemicalPerformances2010,
  title = {Enhanced {{Electrochemical Performances}} of {{Carbon Coated Mesoporous LiFe0}}.{{2Mn0}}.{{8PO4}}},
  author = {Zhang, Bin and Wang, Xiaojian and Liu, Zhaojun and Li, Hong and Huang, Xuejie},
  year = {2010},
  volume = {157},
  pages = {285--288},
  doi = {10.1149/1.3280230},
  file = {/Users/shyue/Zotero/storage/H43CMXF4/2010 - Zhang et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {3}
}

@article{zhangFluorinatedElectrolytesLithiumion2013,
  title = {Fluorinated Electrolytes for 5 {{V}} Lithium-Ion Battery Chemistry},
  author = {Zhang, Zhengcheng and Hu, Libo and Wu, Huiming and Weng, Wei and Koh, Meiten and Redfern, Paul C. and a. Curtiss, Larry and Amine, Khalil},
  year = {2013},
  volume = {6},
  pages = {1806},
  issn = {1754-5692},
  doi = {10.1039/c3ee24414h},
  abstract = {An electrolyte based on fluorinated carbonate solvents was evaluated with high voltage cathode materials at elevated temperature. The theoretically high anodic stability of these new electrolytes was supported by electrochemical evaluation results using LiNi0.5Mn1.5O4/Li and LiNi0.5Mn1.5O4/Li4Ti5O12 electrochemical couples. Fluorinated carbonate appears to be a suitable electrolyte candidate for transition metal oxide cathodes at high voltage (5 V vs. Li+/Li).},
  journal = {Energy \& Environmental Science},
  number = {6}
}

@article{zhangHeterostructuredApproachesEfficient2013,
  title = {Heterostructured {{Approaches}} to {{Efficient Thermoelectric Materials}}},
  author = {Zhang, Yichi and Stucky, Galen D},
  year = {2013},
  month = sep,
  pages = {130918162141000},
  issn = {0897-4756},
  doi = {10.1021/cm402150j},
  abstract = {A key challenge for the materials chemist is the development of controllable and straightforward synthetic methodologies that will integrate multiple phases/compositions with scalar designed physical properties. The intent of this Perspective is to give a brief summary of some of the current bulk-scaled approaches that might help guide researchers in the design of optimal heterostructures in large quantity for the further improvement of thermoelectric conversion efficiency. Examples of two-phase combinations on different length scales will be discussed with a focus on the hot carrier filtering effect that results from the selective scattering of carriers with different energies. On the basis of this strategy, heterostructures fabricated by both the bottom-up solution approaches at low temperature and top-down solid-state deposition routes that show promise in improving the thermoelectric figure of merit are highlighted.},
  file = {/Users/shyue/Zotero/storage/CT87E5R4/2013 - Zhang, Stucky - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  keywords = {heterostructures,hot carrier fi ltering,interfacial barrier,metal-semiconductor,nanoinclusions,thermoelectric materials}
}

@article{zhangInitioStudyStabilities2013,
  title = {Ab Initio Study of the Stabilities of and Mechanism of Superionic Transport in Lithium-Rich Antiperovskites},
  author = {Zhang, Yi and Zhao, Yusheng and Chen, Changfeng},
  year = {2013},
  month = apr,
  volume = {87},
  pages = {134303},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.87.134303},
  file = {/Users/shyue/Zotero/storage/YQY6QVZ4/2013 - Zhang, Zhao, Chen - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {13}
}

@article{zhangLiPolymerElectrolyte2008,
  title = {{{Li}}/{{Polymer Electrolyte}}/{{Water Stable Lithium}}-{{Conducting Glass Ceramics Composite}} for {{Lithium}}\textendash{{Air Secondary Batteries}} with an {{Aqueous Electrolyte}}},
  author = {Zhang, Tao and Imanishi, Nobuyuki and Hasegawa, Satoshi and Hirano, Atsushi and Xie, Jian and Takeda, Yasuo and Yamamoto, Osamu and Sammes, Nigel},
  year = {2008},
  volume = {155},
  pages = {A965},
  issn = {00134651},
  doi = {10.1149/1.2990717},
  file = {/Users/shyue/Zotero/storage/53SYLKRK/2008 - Zhang et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {12}
}

@article{zhangLocalStructureShortRange2017,
  title = {Local {{Structure}} and {{Short}}-{{Range Order}} in a {{NiCoCr Solid Solution Alloy}}},
  author = {Zhang, F. X. and Zhao, Shijun and Jin, Ke and Xue, H. and Velisa, G. and Bei, H. and Huang, R. and Ko, J. Y. P. and Pagan, D. C. and Neuefeind, J. C. and Weber, W. J. and Zhang, Yanwen},
  year = {2017},
  month = may,
  volume = {118},
  pages = {205501},
  issn = {0031-9007, 1079-7114},
  doi = {10.1103/PhysRevLett.118.205501},
  file = {/Users/shyue/Zotero/storage/QVREBNW8/Zhang et al. - 2017 - Local Structure and Short-Range Order in a NiCoCr .pdf},
  journal = {Physical Review Letters},
  language = {en},
  number = {20}
}

@article{zhangMechanismCollectiveInterstitial2020,
  title = {Mechanism of Collective Interstitial Ordering in {{Fe}}\textendash{{C}} Alloys},
  author = {Zhang, Xie and Wang, Hongcai and Hickel, Tilmann and Rogal, Jutta and Li, Yujiao and Neugebauer, J{\"o}rg},
  year = {2020},
  month = may,
  issn = {1476-1122, 1476-4660},
  doi = {10.1038/s41563-020-0677-9},
  file = {/Users/shyue/Zotero/storage/MR28GWU6/Zhang et al. - 2020 - Mechanism of collective interstitial ordering in F.pdf},
  journal = {Nature Materials},
  language = {en}
}

@article{zhangNa11Sn2PS12NewSolid2018,
  title = {{{Na11Sn2PS12}}: {{A}} New Solid State Sodium Superionic Conductor},
  author = {Zhang, Z. and Ramos, E. and Lal{\`e}re, F. and Assoud, A. and Kaup, K. and Hartman, P. and Nazar, Linda F.},
  year = {2018},
  volume = {11},
  pages = {87--93},
  issn = {17545706},
  doi = {10.1039/c7ee03083e},
  abstract = {\textbackslash textlessp\textbackslash textgreaterWe report a new sodium superionic conductor, Na11Sn2PS12, that crystallizes in an unprecedented three-dimensional structure type and exhibits an ionic conductivity of 1.4 mS cm-1, with a very low activation...\textbackslash textless/p\textbackslash textgreater},
  file = {/Users/shyue/Zotero/storage/37RL6AYG/2018 - Zhang et al. - Energy and Environmental Science.pdf},
  journal = {Energy and Environmental Science},
  number = {1}
}

@article{zhangNaPSeNovel2015,
  title = {Na 3 {{PSe}} 4 : {{A Novel Chalcogenide Solid Electrolyte}} with {{High Ionic Conductivity}}},
  author = {Zhang, Long and Yang, Kun and Mi, Jianli and Lu, Lei and Zhao, Linran and Wang, Limin and Li, Yueming and Zeng, Hong},
  year = {2015},
  month = oct,
  pages = {n/a--n/a},
  issn = {16146832},
  doi = {10.1002/aenm.201501294},
  file = {/Users/shyue/Zotero/storage/2YZG6HCT/2015 - Zhang et al. - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials}
}

@article{zhangNovelCompositePolymer2010,
  title = {Novel Composite Polymer Electrolyte for Lithium Air Batteries},
  author = {Zhang, Deng and Li, Ruoshi and Huang, Tao and Yu, Aishui},
  year = {2010},
  month = feb,
  volume = {195},
  pages = {1202--1206},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2009.08.063},
  file = {/Users/shyue/Zotero/storage/XJSLXPK2/2010 - Zhang et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  number = {4}
}

@article{zhangNovelHighEnergy2010,
  title = {A Novel High Energy Density Rechargeable Lithium/Air Battery.},
  author = {Zhang, Tao and Imanishi, Nobuyuki and Shimonishi, Yuta and Hirano, Atsushi and Takeda, Yasuo and Yamamoto, Osamu and Sammes, Nigel},
  year = {2010},
  month = mar,
  volume = {46},
  pages = {1661--3},
  issn = {1364-548X},
  doi = {10.1039/b920012f},
  abstract = {A novel rechargeable lithium/air battery was fabricated, which consisted of a water-stable multilayer Li-metal anode, acetic acid-water electrolyte, and a fuel-cell analogous air-diffusion cathode and possessed a high energy density of 779 W h kg(-1), twice that of the conventional graphite/LiCoO(2) cell.},
  file = {/Users/shyue/Zotero/storage/7NBXSMZG/2010 - Zhang et al. - Chemical communications (Cambridge, England)(2).pdf;/Users/shyue/Zotero/storage/SJ6MLXDN/2010 - Zhang et al. - Chemical communications (Cambridge, England).pdf},
  journal = {Chemical communications (Cambridge, England)},
  number = {10},
  pmid = {20177608}
}

@article{zhangPartiallyFluorinatedSolvent2011,
  title = {Partially Fluorinated Solvent as a Co-Solvent for the Non-Aqueous Electrolyte of {{Li}}/Air Battery},
  author = {Zhang, Sheng S. and Xu, Kang and Read, Jeffrey},
  year = {2011},
  month = mar,
  volume = {196},
  pages = {3906--3910},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2010.11.021},
  file = {/Users/shyue/Zotero/storage/I6AQHMMV/2011 - Zhang, Xu, Read - Journal of Power Sources(2).pdf;/Users/shyue/Zotero/storage/K8YJVYFY/2011 - Zhang, Xu, Read - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  keywords = {2,2-trifluoroethyl,non-aqueous electrolyte,phosphate,phosphite,tris},
  number = {5}
}

@article{zhangPerovskiteNeuralTrees2020,
  title = {Perovskite Neural Trees},
  author = {Zhang, Hai-Tian and Park, Tae Joon and Zaluzhnyy, Ivan A. and Wang, Qi and Wadekar, Shakti Nagnath and Manna, Sukriti and Andrawis, Robert and Sprau, Peter O. and Sun, Yifei and Zhang, Zhen and Huang, Chengzi and Zhou, Hua and Zhang, Zhan and Narayanan, Badri and Srinivasan, Gopalakrishnan and Hua, Nelson and Nazaretski, Evgeny and Huang, Xiaojing and Yan, Hanfei and Ge, Mingyuan and Chu, Yong S. and Cherukara, Mathew J. and Holt, Martin V. and Krishnamurthy, Muthu and Shpyrko, Oleg G. and Sankaranarayanan, Subramanian K.R.S. and Frano, Alex and Roy, Kaushik and Ramanathan, Shriram},
  year = {2020},
  month = dec,
  volume = {11},
  pages = {2245},
  issn = {2041-1723},
  doi = {10.1038/s41467-020-16105-y},
  file = {/Users/shyue/Zotero/storage/EZA9G44S/Zhang et al. - 2020 - Perovskite neural trees.pdf},
  journal = {Nature Communications},
  language = {en},
  number = {1}
}

@article{zhangPerovskiteNickelatesElectricfield2018,
  title = {Perovskite Nickelates as Electric-Field Sensors in Salt Water},
  author = {Zhang, Zhen and Schwanz, Derek and Narayanan, Badri and Kotiuga, Michele and Dura, Joseph A. and Cherukara, Mathew and Zhou, Hua and Freeland, John W. and Li, Jiarui and Sutarto, Ronny and He, Feizhou and Wu, Chongzhao and Zhu, Jiaxin and Sun, Yifei and Ramadoss, Koushik and Nonnenmann, Stephen S. and Yu, Nanfang and Comin, Riccardo and Rabe, Karin M. and Sankaranarayanan, Subramanian K. R. S. and Ramanathan, Shriram},
  year = {2018},
  month = jan,
  volume = {553},
  pages = {68--72},
  issn = {0028-0836, 1476-4687},
  doi = {10.1038/nature25008},
  file = {/Users/shyue/Zotero/storage/Q6T95YFI/Zhang et al. - 2018 - Perovskite nickelates as electric-field sensors in.pdf},
  journal = {Nature},
  language = {en},
  number = {7686}
}

@article{zhangPhysicalPropertiesIonic2006,
  title = {Physical {{Properties}} of {{Ionic Liquids}}: {{Database}} and {{Evaluation}}},
  author = {Zhang, Suojiang and Sun, Ning and He, Xuezhong and Lu, Xingmei and Zhang, Xiangping},
  year = {2006},
  volume = {35},
  pages = {1475},
  doi = {10.1063/1.2204959},
  file = {/Users/shyue/Zotero/storage/9VUXWH63/2006 - Zhang et al. - Green Chemistry.pdf},
  journal = {Green Chemistry},
  keywords = {database,ionic liquid,melting point,properties,qspr},
  number = {4}
}

@article{zhangPolarizationOxygenElectrode2010,
  title = {Polarization of {{Oxygen Electrode}} in {{Rechargeable Lithium Oxygen Batteries}}},
  author = {Zhang, Deng and Fu, Zhenghao and Wei, Zhen and Huang, Tao and Yu, Aishui},
  year = {2010},
  volume = {157},
  pages = {A362},
  issn = {00134651},
  doi = {10.1149/1.3298450},
  file = {/Users/shyue/Zotero/storage/92XWEW66/2010 - Zhang et al. - Journal of The Electrochemical Society(3).pdf},
  journal = {Journal of The Electrochemical Society},
  number = {3}
}

@article{zhangPolymerizedIonicNetworks2015,
  title = {Polymerized {{Ionic Networks}} with {{High Charge Density}}: {{Quasi}}-{{Solid Electrolytes}} in {{Lithium}}-{{Metal Batteries}}},
  author = {Zhang, Pengfei and Li, Mingtao and Yang, Bolun and Fang, Youxing and Jiang, Xueguang and Veith, Gabriel M. and Sun, Xiao Guang and Dai, Sheng},
  year = {2015},
  volume = {27},
  pages = {8088--8094},
  issn = {15214095},
  doi = {10.1002/adma.201502855},
  abstract = {Polymerized ionic networks (PINs) with six ion pairs per repeating unit are synthesized by nucleophilic-substitution-mediated polymerization or radical polymerization of monomers bearing six 1-vinylimidazolium cations. PIN-based solid-like electrolytes show good ionic conductivities (up to 5.32 \texttimes{} 10(-3) S cm(-1) at 22 \textdegree C), wide electrochemical stability windows (up to 5

license_type: permissive

branch_name: refs/heads/master

extension: bib