text:
0.5). Photocurrent measurements were performed on individual nanobelts by fabricating photodetector devices; higher photocurrents were found for x {$\leq$} 0.5. First-principles calculations predicted that oxygen chemisorption can cause the direct and indirect band gaps of GaS to converge, similar to the band structures of GaSe, and thus enhance the optical properties. On the basis...},
  file = {/Users/shyue/Zotero/storage/SF2TEZLK/2016 - Jung et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {16}
}

@article{jungSodiumIonDiffusion2014,
  title = {Sodium {{Ion Diffusion}} in {{Al2O3}}: {{A Distinct Perspective Compared}} with {{Lithium Ion Diffusion}}.},
  author = {Jung, Sung Chul and Kim, Hyung-jin and Choi, Jang Wook and Han, Young-kyu},
  year = {2014},
  month = oct,
  pages = {2--6},
  issn = {1530-6992},
  doi = {10.1021/nl503169v},
  abstract = {Surface coating of active materials has been one of the most effective strategies to mitigate undesirable side reactions and thereby improve the overall battery performance. In this direction, aluminum oxide (Al2O3) is one of the most widely adopted coating materials due to its easy synthesis and low material cost. Nevertheless, the effect of Al2O3 coating on carrier ion diffusion has been investigated mainly for Li ion batteries, and the corresponding understanding for emerging Na ion batteries is currently missing. Using ab initio molecular dynamics calculations, herein, we first find that, unlike lithiation, sodiation of Al2O3 is thermodynamically unfavorable. Nonetheless, there can still exist a threshold in the Na ion content in Al2O3 before further diffusion into the adjacent active material, delivering a new insight that both thermodynamics and kinetics should be taken into account to describe ionic diffusion in any material media. Furthermore, Na ion diffusivity in NaxAl2O3 turns out to be much higher than Li ion diffusivity in LixAl2O3, a result opposite to the conventional stereotype based on the atomic radius consideration. While hopping between the O-rich trapping sites via an Na-O bond breaking/making process is identified as the main Na ion diffusion mechanism, the weaker Na-O bond strength than the Li-O counterpart turns out to be the origin of the superior diffusivity of Na ions.},
  file = {/Users/shyue/Zotero/storage/A4HL9I4U/2014 - Jung et al. - Nano letters(2).pdf},
  journal = {Nano letters},
  keywords = {1 capacitors,2,al 2 o 3,as fuel cells,critical component,density functional calculations,electrochemical energy devices such,electrolyte interface is a,he electrode,in terms of determining,ion conductivity,molecular dynamics,na ion batteries,overall performance in a,variety of},
  pmid = {25286155}
}

@article{juzaTernaryLithiumPhosphides1968,
  title = {Ternary {{Lithium Phosphides}} and {{Arsenides}} with {{Iron Cobalt}} or {{Chromium}} of {{Cu2Sb Type}}},
  author = {Juza, R and Langer, K},
  year = {1968},
  volume = {361},
  pages = {58},
  issn = {0044-2313},
  journal = {Zeitschrift Fur Anorganische Und Allgemeine Chemie},
  number = {1-2}
}

@article{kaczmarekRareEarthTungstate2013,
  title = {Rare Earth Tungstate and Molybdate Compounds - from {{0D}} to {{3D}} Architectures.},
  author = {Kaczmarek, Anna M and Van Deun, Rik},
  year = {2013},
  volume = {42},
  pages = {8835--8848},
  issn = {1460-4744},
  doi = {10.1039/c3cs60166h},
  abstract = {This tutorial review focuses on the recent development of diverse synthetic approaches and possibilities for chemical tuning of the size, shape, and morphology, as well as properties such as luminescence, of rare earth tungstate and molybdate materials. The use of rare earth tungstate and molybdate nano- and micromaterials as single materials for the generation of white light is reviewed. Additionally, the use of these materials as red phosphors in phosphor-converted white light emitting diodes (pc-WLEDs) when employing GaN or InGaN chips as the primary light source is explored.},
  file = {/Users/shyue/Zotero/storage/RN9TKSU2/2013 - Kaczmarek, Van Deun - Chemical Society reviews(2).pdf},
  journal = {Chemical Society reviews},
  number = {23},
  pmid = {24043223}
}

@article{kaganOrganicinorganicHybridMaterials1999,
  title = {Organic-Inorganic Hybrid Materials as Semiconducting Channels in Thin-Film Field-Effect Transistors},
  author = {Kagan, C. R. and Mitzi, D. B. and Dimitrakopoulos, C. D. and Brown, a. R. and Pomp, a. and Hart, C. M. and Leeuw, D. M. De and Dimitrakopoulos, C. D. and Brown, a. R. and Pomp, a. and Nelson, S. F. and Lin, Y. Y. and Gundlach, D. J. and Jackson, T. N. and Herwig, P. T. and M{\"u}llen, K. and Horowitz, G. and Fichou, D. and Peng, X. and Xu, Z. and Garnier, F. and Dimitrakopoulos, C. D. and Furman, B. and Graham, T. and Hegde, S. and Purushothaman, S. and Burroughes, J. H. and a. Jones, C. and Friend, R. H. and Tsumura, a. and Koezuka, H. and Ando, T. and Bao, Z. and Dodabalapur, a. and Lovinger, a. J. and Brown, a. R. and Jarrett, C. P. and Leeuw, D. M. De and Matters, M. and Garnier, F. and Hajlaoui, R. and Yassar, a. and Srivastava, P. and Dimitrakopoulos, C. D. and Purushothaman, S. and Kymissis, J. and Callegari, a. and Shaw, J. M. and Mitzi, D. B. and Mitzi, D. B. and a. Feild, C. and Schlesinger, Z. and Laibowitz, R. B. and Mitzi, D. B. and a. Feild, C. and a. Harrison, W. T. and Guloy, a. M. and Xu, C. Q. and Liang, K. and Mitzi, D. B. and Prikas, M. T. and Era, M. and Hattori, T. and Taira, T. and Tsutsui, T. and Mitzi, D. B. and Prikas, M. T. and Chondroudis, K. and Papavassiliou, G. C. and Koutselas, I. B. and Terzis, a. and Whangbo, M. H. and Shur, M. and Hack, M. and Shaw, J. G. and Dodabalapur, a. and Torsi, L. and Katz, H. E.},
  year = {1999},
  volume = {286},
  pages = {945--7},
  issn = {1095-9203},
  doi = {10.1126/science.286.5441.945},
  abstract = {Organic-inorganic hybrid materials promise both the superior carrier mobility of inorganic semiconductors and the processability of organic materials. A thin-film field-effect transistor having an organic-inorganic hybrid material as the semiconducting channel was demonstrated. Hybrids based on the perovskite structure crystallize from solution to form oriented molecular-scale composites of alternating organic and inorganic sheets. Spin-coated thin films of the semiconducting perovskite (C(6)H(5)C(2)H(4)NH(3))(2)SnI(4) form the conducting channel, with field-effect mobilities of 0.6 square centimeters per volt-second and current modulation greater than 10(4). Molecular engineering of the organic and inorganic components of the hybrids is expected to further improve device performance for low-cost thin-film transistors.},
  journal = {Science (New York, N.Y.)},
  number = {5441},
  pmid = {10542146}
}

@article{kalajiCeActivatedGCa2014,
  title = {Ce 3+ -{{Activated}} {$\gamma$}-{{Ca}} 2 {{SiO}} 4 and {{Other Olivine}}-{{Type ABXO}} 4 {{Phosphors}} for {{Solid}}-{{State Lighting}}},
  author = {Kalaji, Ali and Mikami, Masayoshi and Cheetham, Anthony K},
  year = {2014},
  month = jul,
  volume = {26},
  pages = {3966--3975},
  issn = {0897-4756},
  doi = {10.1021/cm501516m},
  file = {/Users/shyue/Zotero/storage/4G6PHVNU/2014 - Kalaji, Mikami, Cheetham - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {13}
}

@techreport{kalhammerStatusProspectsZero2007,
  title = {Status and {{Prospects}} for {{Zero Emissions Vehicle Technology Report}} of the {{ARB Independent Expert Panel}} 2007},
  author = {Kalhammer, Fritz R. and Kopf, Bruce M and Swan, David H and Roan, Vernon P and Walsh, Michael P},
  year = {2007},
  file = {/Users/shyue/Zotero/storage/PUQUJW4P/2007 - Kalhammer et al. - Cell.pdf}
}

@article{kalidindiStabilityCriteriaNanocrystalline2017,
  title = {Stability Criteria for Nanocrystalline Alloys},
  author = {Kalidindi, Arvind R. and Schuh, Christopher A.},
  year = {2017},
  volume = {132},
  pages = {128--137},
  issn = {13596454},
  doi = {10.1016/j.actamat.2017.03.029},
  abstract = {Alloying nanocrystalline materials to stabilize them against grain growth is proving a critical enabling strategy for the processing and usage of bulk nanocrystalline parts. Alloying elements that segregate strongly to grain boundaries can lead to a preference for nanocrystalline structure, and to be most stable the grain boundary segregated state would need to be preferred to forming any other phase or solute configuration, including a solid solution, ordered compounds, or solute precipitates. In this paper, a stability criterion is developed by comparing the enthalpy of the grain boundary segregated state against such stable bulk phases. This enthalpic criterion is also translated into a lattice model framework to enable the use of Monte Carlo simulations to incorporate entropic and geometric effects in assessing nanocrystalline stability. Monte Carlo simulations show that entropy can play a role in stabilizing nanocrystalline states, leading to duplex structures, and also in forming a grain boundary network preferentially over a disordered or amorphous-like bulk phase.},
  file = {/Users/shyue/Zotero/storage/KJF6LHUK/2017 - Kalidindi, Schuh - Acta Materialia.pdf},
  journal = {Acta Materialia}
}

@techreport{kalilMaterialsGenomeInitiative2011,
  title = {Materials {{Genome Initiative}} for {{Global Competitiveness}}},
  author = {Kalil, Tom and Wadia, Cyrus},
  year = {2011},
  institution = {{NATIONAL SCIENCE AND TECHNOLOGY COUNCIL}},
  file = {/Users/shyue/Zotero/storage/8ZUAVI9U/2011 - Kalil, Wadia - Unknown.pdf},
  number = {June}
}

@article{kalogirouApplicationsArtificialNeuralnetworks2000,
  title = {Applications of Artificial Neural-Networks for Energy Systems},
  author = {Kalogirou, Soteris A},
  year = {2000},
  month = sep,
  volume = {67},
  pages = {17--35},
  issn = {03062619},
  doi = {10.1016/S0306-2619(00)00005-2},
  abstract = {Arti\textregistered cial neural networks oer an alternative way to tackle complex and ill-de\textregistered ned pro- blems. They can learn from examples, are fault tolerant in the sense that they are able to handle noisy and incomplete data, are able to deal with non-linear problems, and once trained can perform predictions and generalisations at high speed. They have been used in diverse applications in control, robotics, pattern recognition, forecasting, medicine, power systems, manufacturing, optimisation, signal processing, and social/psychological sciences. They are particularly useful in system modelling, such as in implementing complex mapping and system identi\textregistered cation. This paper presents various applications of neural networks in energy problems in a thematic rather than a chronological or any other way. Arti\textregistered cial neural networks have been used by the author in the \textregistered eld of solar energy; for modelling and design of a solar steam generating plant, for the estimation of a parabolic-trough collector's intercept factor and local concentration ratio and for the modelling and performance pre- diction of solar water-heating systems. They have also been used for the estimation of heat- ing-loads of buildings, for the prediction of air \textasciimacron ows in a naturally ventilated test room and for the prediction of the energy consumption of a passive solar building. In all such models, a multiple hidden-layer architecture has been used. Errors reported when using these models are well within acceptable limits, which clearly suggests that arti\textregistered cial neural-networks can be used for modelling in other \textregistered elds of energy production and use. The work of other researchers in the \textregistered eld of energy is also reported. This includes the use of arti\textregistered cial neural- networks in heating, ventilating and air-conditioning systems, solar radiation, modelling and control of power-generation systems, load-forecasting and refrigeration.},
  file = {/Users/shyue/Zotero/storage/TY2AFBK2/2000 - Kalogirou - Applied Energy.pdf},
  journal = {Applied Energy},
  keywords = {arti,cial neural-networks,system modelling,system-performance prediction},
  number = {1-2}
}

@article{kamayaLithiumSuperionicConductor2011,
  title = {A Lithium Superionic Conductor.},
  author = {Kamaya, Noriaki and Homma, Kenji and Yamakawa, Yuichiro and Hirayama, Masaaki and Kanno, Ryoji and Yonemura, Masao and Kamiyama, Takashi and Kato, Yuki and Hama, Shigenori and Kawamoto, Koji and Mitsui, Akio},
  year = {2011},
  month = jul,
  volume = {10},
  pages = {682--686},
  issn = {1476-1122},
  doi = {10.1038/nmat3066},
  abstract = {Batteries are a key technology in modern society. They are used to power electric and hybrid electric vehicles and to store wind and solar energy in smart grids. Electrochemical devices with high energy and power densities can currently be powered only by batteries with organic liquid electrolytes. However, such batteries require relatively stringent safety precautions, making large-scale systems very complicated and expensive. The application of solid electrolytes is currently limited because they attain practically useful conductivities (10(-2) S cm(-1)) only at 50-80 \textdegree C, which is one order of magnitude lower than those of organic liquid electrolytes. Here, we report a lithium superionic conductor, Li(10)GeP(2)S(12) that has a new three-dimensional framework structure. It exhibits an extremely high lithium ionic conductivity of 12 mS cm(-1) at room temperature. This represents the highest conductivity achieved in a solid electrolyte, exceeding even those of liquid organic electrolytes. This new solid-state battery electrolyte has many advantages in terms of device fabrication (facile shaping, patterning and integration), stability (non-volatile), safety (non-explosive) and excellent electrochemical properties (high conductivity and wide potential window).},
  file = {/Users/shyue/Zotero/storage/3XXT3APX/2011 - Kamaya et al. - Nature materials.pdf},
  journal = {Nature materials},
  number = {9},
  pmid = {21804556}
}

@article{kaminskiiAbsorptionLuminescenceStimulated1977,
  title = {Absorption, Luminescence, and Stimulated Emission Investigations in {{Lu3Al5O12}}-{{Er3}}+ {{Crystals}}},
  author = {Kaminskii, A. A. and Butaeva, T. I. and Fedorov, V. A. and Bagdasarov, Kh. S. and Petrosyan, A. G.},
  year = {1977},
  month = feb,
  volume = {39},
  pages = {541--548},
  issn = {00318965},
  doi = {10.1002/pssa.2210390222},
  journal = {Physica Status Solidi (a)},
  number = {2}
}

@article{kaminskiiInvestigationStimulatedEmission1973,
  title = {Investigation of Stimulated Emission from {{Lu3Al5O12}} Crystals with {{Ho3}}+, {{Er3}}+, and {{Tm3}}+ Ions},
  author = {Kaminskii, A A and Bagdasarov, Kh S and Petrosyan, A G and Sarkisov, S E},
  year = {1973},
  volume = {18},
  issn = {1521-396X},
  journal = {physica status solidi (a)},
  number = {1}
}

@article{kanaiAnomalousElectronicStructure2008,
  title = {Anomalous Electronic Structure of Ionic Liquids Determined by Soft X-Ray Emission Spectroscopy: Contributions from the Cations and Anions to the Occupied Electronic Structure.},
  author = {Kanai, K and Nishi, T and Iwahashi, T and Ouchi, Y and Seki, K and Harada, Y and Shin, S},
  year = {2008},
  month = dec,
  volume = {129},
  pages = {224507},
  issn = {1089-7690},
  doi = {10.1063/1.3036925},
  abstract = {Soft x-ray emission spectroscopy was used for elucidating the electronic structure of ionic liquids [C(4)mim](+)PF(6)(-) and [C(4)mim](+)OTf(-), where [C(4)mim](+) stands for methylbutylimidazolium cation and OTf(-) for the trifluoromethanesulfonate anion. Nonresonant spectra measured above N, O, and F 1s edges selectively probed the molecular orbitals (MOs) of the cation and anions. They give a clear evidence that the highest occupied molecular orbital of the [C(4)mim](+) cation contributes to the topmost occupied states of the ionic liquids [C(4)mim](+)PF(6)(-), while both cationic and anionic MOs contribute for the case of [C(4)mim](+)OTf(-). Resonant soft x-ray emission spectra at the N 1s edge of these ionic liquids revealed that the energy gap of [C(4)mim](+)PF(6)(-) is solely determined by the [C(4)mim](+) cation, in contrast to usual ionic crystals. The ionic liquids form a new class of the ionic materials from the viewpoint of the electronic structure.},
  file = {/Users/shyue/Zotero/storage/BWHA2G5H/2008 - Kanai et al. - The Journal of chemical physics.pdf},
  journal = {The Journal of chemical physics},
  number = {22},
  pmid = {19071928}
}

@article{kanaiElectronicStructuresImidazoliumbased2009,
  title = {Electronic Structures of Imidazolium-Based Ionic Liquids},
  author = {Kanai, K. and Nishi, T. and Iwahashi, T. and Ouchi, Y. and Seki, K. and Harada, Y. and Shin, S.},
  year = {2009},
  month = aug,
  volume = {174},
  pages = {110--115},
  issn = {03682048},
  doi = {10.1016/j.elspec.2009.02.004},
  abstract = {Electronic structures of ionic liquids formed by 1-buthyl-3-alkylimidazolium ion [Cnmim]+ (n = 4 and 8) with various inorganic and organic anions have been investigated by ultraviolet photoemission, X-ray photoemission, inverse photoemission and soft X-ray emission spectroscopies (SXES). The comparison of the calculated density of states with the observed spectra revealed that the molecular orbital energies of these ionic liquids are significantly affected by the electrostatic Madelung potential among the ions. The SXES results clearly show that the both highest occupied and lowest unoccupied states of [C4mim]+PF6 - are derived from the cation as a result of strong Madelung potential. On the other hand, the SXES results show the valence electronic structures of ionic liquids with larger anion molecules, [Cnmim]+Tf2N- and [Cnmim]+OTf- are contributed from the both cation and anion.},
  file = {/Users/shyue/Zotero/storage/LCVHV7BD/2009 - Kanai et al. - Journal of Electron Spectroscopy and Related Phenomena.pdf},
  journal = {Journal of Electron Spectroscopy and Related Phenomena},
  number = {1-3}
}

@article{kanalEfficientComputationalScreening2013,
  title = {Efficient {{Computational Screening}} of {{Organic Polymer Photovoltaics}}},
  author = {Kanal, Ilana Y. and Owens, Steven G. and Bechtel, Jonathon S. and Hutchison, Geoffrey R.},
  year = {2013},
  month = may,
  volume = {4},
  pages = {1613--1623},
  issn = {1948-7185},
  doi = {10.1021/jz400215j},
  abstract = {There has been increasing interest in rational, computationally driven design methods for materials, including organic photovoltaics (OPVs). Our approach focuses on a screening ``pipeline'', using a genetic algorithm for first stage screening and multiple filtering stages for further refinement. An important step forward is to expand our diversity of candidate compounds, including both synthetic and property-based measures of diversity. For example, top monomer pairs from our screening are all donor-donor (D- D) combinations, in contrast with the typical donor-acceptor (D-A) motif used in organic photovoltaics. We also find a strong ``sequence effect'', in which the average HOMO-LUMO gap of tetramers changes by {$\sim$}0.2 eV as a function of monomer sequence (e.g., ABBA versus BAAB); this has rarely been explored in conjugated polymers. Beyond such optoelectronic optimization, we discuss other properties needed for high-efficiency organic solar cells, and applications of screening methods to other areas, including nonfullerene n-type materials, tandem cells, and improving charge and exciton transport.},
  file = {/Users/shyue/Zotero/storage/PUKFK7UU/2013 - Kanal et al. - The Journal of Physical Chemistry Letters.pdf},
  journal = {The Journal of Physical Chemistry Letters},
  number = {10}
}

@article{kanatzidisNanostructuredThermoelectricsNew2010,
  title = {Nanostructured {{Thermoelectrics}}: {{The New Paradigm}}?},
  author = {Kanatzidis, Mercouri G.},
  year = {2010},
  month = feb,
  volume = {22},
  pages = {648--659},
  issn = {0897-4756},
  doi = {10.1021/cm902195j},
  abstract = {This review discusses recent developments and current research in bulk thermoelectric materials in which nanostructuring is a key aspect affecting thermoelectric performance. Systems based on PbTe, AgPbmSbTe2\th m, NaPbmSbTe2\th m, Bi2Te3, and Si are given particular emphasis. To date the dramatic enhancements in figure of merit in bulk nanostructured materials come from very large reductions in lattice thermal conductivity rather than improvement in power factors. A discussion of future possible strategies is aimed at enhancing the thermoelectric figure of merit of these materials.},
  file = {/Users/shyue/Zotero/storage/7B8Y6UWT/2010 - Kanatzidis - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {3}
}

@article{kandagalTheoreticalPredictionHighly2015,
  title = {Theoretical Prediction of a Highly Conducting Solid Electrolyte for Sodium Batteries: {{Na}} 10 {{GeP}} 2 {{S}} 12},
  author = {Kandagal, Vinay S. and Bharadwaj, Mridula Dixit and Waghmare, Umesh V.},
  year = {2015},
  volume = {00},
  pages = {1--8},
  issn = {2050-7488},
  doi = {10.1039/C5TA01616A},
  file = {/Users/shyue/Zotero/storage/VCM5L45V/2015 - Kandagal, Bharadwaj, Waghmare - J. Mater. Chem. A.pdf},
  journal = {J. Mater. Chem. A}
}

@article{kanExplorationMetastableNormal2016,
  title = {Exploration of a {{Metastable Normal Spinel Phase Diagram}} for the {{Quaternary Li}}-{{Ni}}-{{Mn}}-{{Co}}-{{O System}}},
  author = {Kan, Wang Hay and Huq, Ashfia and Manthiram, Arumugam},
  year = {2016},
  pages = {acs.chemmater.5b04994},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.5b04994},
  file = {/Users/shyue/Zotero/storage/HG6TBJSX/2016 - Kan, Huq, Manthiram - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials}
}

@article{kangBandGapModulationSingle2016,
  title = {Band-{{Gap Modulation}} in {{Single Bi3}}+-{{Doped Y}}-{{Sc}}-{{Nb}}-{{Vanadates}} for {{Color Tuning Over}} the {{Whole Visible Spectrum}}},
  author = {Kang, Fengwen and Zhang, Haishan and Wondraczek, Lothar and Yang, Xiaobao and Zhang, Yi and Lei, Dang Yuan and Peng, Mingying},
  year = {2016},
  month = mar,
  pages = {acs.chemmater.6b00277},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.6b00277},
  abstract = {The use of rare-earth (RE) (e.g., Eu 2+ /Ce 3+ ) ions as single luminescent centers in phosphors with tailorable emission properties has been extensively studied for their potential use in white LEDs. However, significant limitations remain, in particular, for red-emitting phosphors due to the inherently broad excitation bands which result from the underlying d-f transitions and span large parts of the visible spectral region. Guided by density functional theory calculations on the ligand structure of the non-RE Bi 3+ ion, we report here on an alternative class of phosphors, [(Y,Sc)(Nb,V)O 4 :Bi 3+ ], which exhibit homogeneous Bi 3+ luminescence. In these materials, adjustment of the cation fractions enables dedicated tailoring of the excitation scheme within the spectral range of {$\sim$}340-420 nm and, in the meanwhile, allows for tunable emission spanning from about 450 nm (blue) to 647 nm (orange-red). The practical absence of any overlap between the emission and excitation spectra addresses the issues of emission color purity and visible reabsorption. Tailoring through band-gap modulation is achieved by single or parallel substitution of Nb by V and Y by Sc. Such topochemical design of the ligand configuration enables modulation of the electronic band gap and thus provides a new path toward tunable phosphors, exemplarily based on Bi 3+ single doping.},
  file = {/Users/shyue/Zotero/storage/SLSQ5RVW/2016 - Kang et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials}
}

@article{kangElectrochemicalPerformanceLiMnPO2010,
  title = {Electrochemical {{Performance}} of {{LiMnPO}}[Sub 4] {{Synthesized}} with {{Off}}-{{Stoichiometry}}},
  author = {Kang, Byoungwoo and Ceder, Gerbrand},
  year = {2010},
  volume = {157},
  pages = {A808},
  issn = {00134651},
  doi = {10.1149/1.3428454},
  file = {/Users/shyue/Zotero/storage/6X85TJWW/2010 - Kang, Ceder - Journal of The Electrochemical Society.pdf;/Users/shyue/Zotero/storage/9LT9SHU9/2010 - Kang, Ceder - Journal of The Electrochemical Society(2).pdf},
  journal = {Journal of The Electrochemical Society},
  number = {7}
}

@article{kangElectrodesHighPower2006,
  title = {Electrodes with High Power and High Capacity for Rechargeable Lithium Batteries.},
  author = {Kang, Kisuk and Meng, Ying Shirley and Br{\'e}ger, Julien and Grey, Clare P and Ceder, Gerbrand},
  year = {2006},
  month = feb,
  volume = {311},
  pages = {977--80},
  issn = {1095-9203},
  doi = {10.1126/science.1122152},
  abstract = {New applications such as hybrid electric vehicles and power backup require rechargeable batteries that combine high energy density with high charge and discharge rate capability. Using ab initio computational modeling, we identified useful strategies to design higher rate battery electrodes and tested them on lithium nickel manganese oxide [Li(Ni(0.5)Mn(0.5))O2], a safe, inexpensive material that has been thought to have poor intrinsic rate capability. By modifying its crystal structure, we obtained unexpectedly high rate-capability, considerably better than lithium cobalt oxide (LiCoO2), the current battery electrode material of choice.},
  file = {/Users/shyue/Zotero/storage/C8Z94H9G/2006 - Kang et al. - Science (New York, N.Y.)(2).pdf;/Users/shyue/Zotero/storage/UXPZEDZP/2006 - Kang et al. - Science (New York, N.Y.).pdf},
  journal = {Science (New York, N.Y.)},
  number = {5763},
  pmid = {16484487}
}

@article{kangFacileMechanismRecharging2013,
  title = {A {{Facile Mechanism}} for {{Recharging Li2O2}} in {{Li}}\textendash{{O2 Batteries}}},
  author = {Kang, ShinYoung and Mo, Yifei and Ong, Shyue Ping and Ceder, Gerbrand},
  year = {2013},
  month = aug,
  volume = {25},
  pages = {3328--3336},
  issn = {0897-4756},
  doi = {10.1021/cm401720n},
  abstract = {Li-air is a novel battery technology with the potential to offer very high specific energy, but which currently suffers from a large charging overpotential and low power density. In this work, we use ab initio calculations to demonstrate that a facile mechanism for recharging Li2O2 exists. Rather than the direct decomposition pathway of Li2O2 into Li and O2 suggested by equilibrium thermodynamics, we find an alternative reaction pathway based on topotactic delithiation of Li2O2 to form off-stoichiometric Li2-xO2 compounds akin to the charging mechanism in typical Li-ion intercalation electrodes. The low formation energy of bulk Li2-xO2 phases confirms that this topotactic delithiation mechanism is rendered accessible at relatively small overpotentials of {$\sim$}0.3\textendash 0.4 V and is likely to be kinetically favored over Li2O2 decomposition. Our findings indicate that at the Li2O2 particle level there are no obstacles to increase the current density, and point to an exciting opportunity to create fast charging Li-air systems.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/PAGHNZHU/2013 - Kang et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {16}
}

@article{kangFactorsThatAffect2006,
  title = {Factors That Affect {{Li}} Mobility in Layered Lithium Transition Metal Oxides},
  author = {Kang, Kisuk and Ceder, Gerbrand},
  year = {2006},
  month = sep,
  volume = {74},
  pages = {1--7},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.74.094105},
  abstract = {The diffusion constant of Li in electrode materials is a key aspect of the rate capability of rechargeable Li batteries. The factors that affect Li mobility in layered lithium transition metal oxides are systematically studied in this paper by means of first-principles calculations. In close packed oxides octahedral ions diffuse by migrating through intermediate tetrahedral sites. Our results indicate that the activation barrier for Li hopping is strongly affected by the size of the tetrahedral site and the electrostatic interaction between Li+ in that site and the cation in the octahedron that shares a face with it. The size of the tetrahedral site is determined by the c-lattice parameter which has a remarkably strong effect on the activation barrier for Li migration. The effect of other factors such as cation mixing and doping with nontransition metal ions can be interpreted quantitatively in terms of the size and electrostatic effect. A general strategy to design high rate electrode materials is discussed.},
  file = {/Users/shyue/Zotero/storage/C2A8X6IM/2006 - Kang, Ceder - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {9}
}

@article{kangFirstPrinciplesStudy2009,
  title = {First Principles Study of {{Li}} Diffusion in {{I}}-{{Li2NiO2}} Structure},
  author = {Kang, Kisuk and Morgan, Dane and Ceder, Gerbrand},
  year = {2009},
  volume = {79},
  pages = {1--4},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.79.014305},
  file = {/Users/shyue/Zotero/storage/8IKDHLNS/2009 - Kang, Morgan, Ceder - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {1}
}

@article{kangImplicationsFormationSmall2012,
  title = {Implications of the Formation of Small Polarons in {{Li}}\_\{2\}{{O}}\_\{2\} for {{Li}}-Air Batteries},
  author = {Kang, Joongoo and Jung, Yoon Seok and Wei, Su-Huai and Dillon, Anne},
  year = {2012},
  month = jan,
  volume = {85},
  pages = {1--5},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.85.035210},
  abstract = {Lithium\textendash air batteries (LABs) are an intriguing next-generation technology due to their high theoretical energy density of {$\sim$}11 kWh/kg. However, LABs are hindered by both poor rate capability and significant polarization in cell voltage, primarily due to the formation of Li2O2 in the air cathode. Here, by employing hybrid density functional theory, we show that the formation of small polarons in Li2O2 limits electron transport. Consequently, the lowelectron mobility {$\mu$}=10-10\textendash 10-9 cm2/Vs contributes to both the poor rate capability and the polarization that limit the LAB power and energy densities. The self-trapping of electrons in the small polarons arises from the molecular nature of the conduction band states of Li2O2 and the strong spin polarization of the O 2p state. Our understanding of the polaronic electron transport in Li2O2 suggests that designing alternative carrier conduction paths for the cathode reaction could significantly improve the performance of LABs at high current densities.},
  file = {/Users/shyue/Zotero/storage/6QIDIH65/2012 - Kang et al. - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {3}
}

@article{kangIntegratedStudyFirst2015,
  title = {Integrated Study of First Principles Calculations and Experimental Measurements for {{Li}}-Ionic Conductivity in {{Al}}-Doped Solid-State {{LiGe2}}({{PO4}})3 Electrolyte},
  author = {Kang, Joonhee and Chung, Habin and Doh, Chilhoon and Kang, Byoungwoo and Han, Byungchan},
  year = {2015},
  volume = {293},
  pages = {11--16},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2015.05.060},
  file = {/Users/shyue/Zotero/storage/3863HRI2/2015 - Kang et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources}
}

@article{kangNanoscaleStabilizationSodium2014,
  title = {Nanoscale Stabilization of Sodium Oxides: Implications for {{Na}}-{{O2}} Batteries},
  author = {Kang, ShinYoung and Mo, Yifei and Ong, Shyue Ping and Ceder, Gerbrand},
  year = {2014},
  month = feb,
  volume = {14},
  pages = {1016--20},
  issn = {1530-6992},
  doi = {10.1021/nl404557w},
  abstract = {The thermodynamic stability of materials can depend on particle size due to the competition between surface and bulk energy. In this Letter, we show that, while sodium peroxide (Na2O2) is the stable bulk phase of Na in an oxygen environment at standard conditions, sodium superoxide (NaO2) is considerably more stable at the nanoscale. As a consequence, the superoxide requires a much lower nucleation energy than the peroxide, explaining why it can be observed as the discharge product in some Na-O2 batteries. As the superoxide can be recharged (decomposed) at much lower overpotentials than the peroxide, these findings are important to create highly reversible Na-O2 batteries. We derive the specific electrochemical conditions to nucleate and retain Na-superoxides and comment on the importance of considering the nanophase thermodynamics when optimizing an electrochemical system.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/JXIB3GDX/2014 - Kang et al. - Nano letters.pdf},
  journal = {Nano letters},
  number = {2},
  pmid = {24417743}
}

@article{kankeCalorimetricStudyLanthanide1998,
  title = {A {{Calorimetric Study}} of the {{Lanthanide Aluminum Oxides}} and the {{Lanthanide Gallium Oxides}}: {{Stability}} of the {{Perovskites}} and the {{Garnets}}},
  author = {Kanke, Yasushi and {Navrotsky-}, Alexandra},
  year = {1998},
  volume = {141},
  pages = {424--436},
  abstract = {High-temperature solution calorimetry using a 2PbO {$\cdot$} B 2 O 3 solvent at 977 K was performed for LnMO 3 perovskites and Ln 3 M 5 O 12 garnets (Ln ؍ La\textendash Lu, Y; M ؍ Al, Ga), -Al 2 O 3 , and -Ga 2 O 3 . The following four reactions were discussed from the viewpoint of thermodynamic parameters, H, S, and V; LnMO 3 ؍ 1 5 Ln 3 M 5 O 12 ؉ 1 5 Ln 2 O 3 , Ln 3 M 5 O 12 ؍ 3LnMO 3 ؉M 2 O 3 , 1 2 Ln 2 O 3 ؉ 1 2 M 2 O 3 ؍ LnMO 3 , and 3 2 Ln 2 O 3 ؉ 5 2 M 2 O 3 ؍ Ln 3 M 5 O 12 . The stability of LnMO 3 against the disproportionation to garnet plus sesquioxide is controlled almost entirely by H and PV but not by TS. On the contrary, the stability of Ln 3 M 5 O 12 against disproportionation to perovskite plus sesquioxide is controlled not only by H and PV but also by TS. The P\textendash T boundary between Ln 3 M 5 O 12 and 3LnMO 3 ؉ M 2 O 3 has a negative slope. The positive S and negative V for the disproportionation are caused by an increase in coordination number and an increase in bond distance. H of perovskite formation is mainly controlled by two factors, the strengthening of the ionic bond in Ln 2 O 3 with decreasing ionic radius of Ln 3؉ and the weakening of the ionic bond between Ln and the distant four O atoms in LnMO 3 with decreasing ionic radius of Ln 3؉ . H of garnet formation is mainly controlled by two factors, the strengthening of the ionic bond in Ln 2 O 3 with decreasing ionic radius of Ln 3؉ and the deviation of the ionic radius of Ln 3؉ from the optimum size for the garnet structure. S values of both perovskite formation and garnet formation are deduced to be negative, which suggests that Ln 2 O 3 phases possess relatively large entropies.},
  journal = {JOURNAL OF SOLID STATE CHEMISTRY}
}

@article{kannoIonicConductivitySolid1981,
  title = {Ionic Conductivity of Solid Lithium Ion Conductors with the Spinel Structure: {{Li2MCl4}} ({{M}}={{Mg}}, {{Mn}}, {{Fe}}, {{Cd}})},
  author = {Kanno, R and Takeda, Y and Yamamoto, O},
  year = {1981},
  volume = {16},
  pages = {999--1005},
  file = {/Users/shyue/Zotero/storage/XEYPRBEP/1981 - Kanno, Takeda, Yamamoto - Mat. Res. Bull.pdf},
  journal = {Mat. Res. Bull.}
}

@article{kannoLithiumIonicConductor2001,
  title = {Lithium {{Ionic Conductor Thio}}-{{LISICON}}: {{The Li}}[Sub 2]{{S}}-{{GeS}}[Sub 2]-{{P}}[Sub 2]{{S}}[Sub 5] {{System}}},
  author = {Kanno, Ryoji and Murayama, Masahiro},
  year = {2001},
  volume = {148},
  pages = {A742},
  issn = {00134651},
  doi = {10.1149/1.1379028},
  abstract = {The new crystalline material family, lithium superionic conductor {$\sim$}thio-LISICON!, was found in the Li2S-GeS2-P2S5 system. The solid solution member x 5 0.75 in Li42xGe12xPxS4 shows the highest conductivity of 2.2 3 1023 S cm21 at 25\textdegree C of any sintered ceramic, together with negligible electronic conductivity, high electrochemical stability, no reaction with lithium metal, and no phase transition up to 500\textdegree C. Its material design concepts of changing constituent ions with various ionic radii, valence, and polarizability are described.},
  file = {/Users/shyue/Zotero/storage/J6FCTKY2/2001 - Kanno, Murayama - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {7}
}

@book{kannoSulfideSolidElectrolyte2013,
  title = {Sulfide Solid Electrolyte Material, Battery, and Method for Producing Sulfide Solid Electrolyte Material},
  author = {Kanno, Ryoji and Hirayama, Masaaki and KATO, Yuki and Kawamoto, Koji and Hama, Shigenori and Otomo, Takamasa and Nobuhara, Kunihiro},
  year = {2013},
  publisher = {{United States Patent \& Trademark Office}},
  abstract = {The problem of the present invention is to provide a sulfide solid electrolyte material having excellent ion conductivity. The present invention solves the problem by providing a sulfide solid electrolyte material comprising an M1 element (such as a Li element), an M2 element (such as a Ge element and a P element), and an S element; having a peak in a position of 2\$\th eta\$=29.58\textdegree{$\pm$}0.50\textdegree{} in an X-ray diffraction measurement using a CuK{$\alpha$} line; and having an IB/IA value of less than 0.50 when a diffraction intensity at the peak of 2\$\th eta\$=29.58\textdegree{$\pm$}0.50\textdegree{} is represented by IA and a diffraction intensity at a peak of 2\$\th eta\$=27.33\textdegree{$\pm$}0.50\textdegree{} is represented by IB.},
  file = {/Users/shyue/Zotero/storage/JME58YLR/2013 - Kanno et al. - Unknown.pdf}
}

@article{kannoSynthesisNewLithium2000,
  title = {Synthesis of a New Lithium Ionic Conductor, Thio-{{LISICON}}\textendash Lithium Germanium Sulfide System},
  author = {Kanno, Ryoji and Hata, Takayuki and Kawamoto, Yoji and Irie, Michihiko},
  year = {2000},
  volume = {130},
  pages = {97--104},
  doi = {10.1016/S0167-2738(00)00277-0},
  abstract = {The new thio-LISICON (LIthium SuperIonic CONductor) found in the Li2S\textendash GeS2, Li2S\textendash GeS2\textendash ZnS and Li2S\textendash GeS2\textendash Ga2S3 systems have structures related to the {$\gamma$}-Li3PO4-type. Six new materials were found (Li2GeS3, Li4GeS4, Li2ZnGeS4, Li4-2xZnxGeS4, Li5GaS4 and Li4+x+{$\delta$}(Ge1-{$\delta{'}-$}xGax)S4), and Li4+x+{$\delta$}\textendash (Ge1-{$\delta{'}-$}xGax)S4 showed the highest conductivity of 6.5\texttimes 10-5 S cm-1 at room temperature. Our results on electrochemical measurements indicated that Li4+x+{$\delta$}(Ge1-{$\delta{'}-$}x\textendash Gax)S4 is stable up to {$\approx$}5 V vs. Li. An all-solid-state lithium cells using Li/Li4+x+{$\delta$}\textendash (Ge1-{$\delta{'}-$}xGax)S4/LiCoO2 was also examined.},
  file = {/Users/shyue/Zotero/storage/B5AI9492/2000 - Kanno et al. - Solid State Ionics.pdf},
  journal = {Solid State Ionics},
  number = {1-2}
}

@article{kasemchainanCriticalStrippingCurrent2019,
  title = {Critical Stripping Current Leads to Dendrite Formation on Plating in Lithium Anode Solid Electrolyte Cells},
  author = {Kasemchainan, Jitti and Zekoll, Stefanie and Jolly, Dominic Spencer and Ning, Ziyang and Hartley, Gareth O. and Marrow, James and Bruce, Peter G.},
  year = {2019},
  month = jul,
  pages = {1},
  issn = {1476-4660},
  doi = {10.1038/s41563-019-0438-9},
  abstract = {A ceramic electrolyte with a lithium metal anode can offer advantages over liquid electrolytes for Li-ion battery performance. A critical current density on stripping in a solid-state cell is identified, resulting in dendrite formation on plating and failure.},
  copyright = {2019 The Author(s), under exclusive licence to Springer Nature Limited},
  file = {/Users/shyue/Zotero/storage/2HWN8K2A/Kasemchainan et al. - 2019 - Critical stripping current leads to dendrite forma.pdf;/Users/shyue/Zotero/storage/D855392Y/s41563-019-0438-9.html},
  journal = {Nature Materials},
  language = {En}
}

@article{katchoOriginsBistabilityNa2016,
  title = {Origins of {{Bistability}} and {{Na Ion Mobility Difference}} in {{P2}}- and {{O3}}-{{Na}} 2/3 {{Fe}} 2/3 {{Mn}} 1/3 {{O}} 2 {{Cathode Polymorphs}}},
  author = {Katcho, Nebil A. and Carrasco, Javier and Saurel, Damien and Gonzalo, Elena and Han, Man and Aguesse, Frederic and Rojo, Teofilo},
  year = {2016},
  month = sep,
  pages = {1601477},
  issn = {16146832},
  doi = {10.1002/aenm.201601477},
  file = {/Users/shyue/Zotero/storage/Z7BI5LJF/2016 - Katcho et al. - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials},
  keywords = {cathode materials,density functional theory,ion mobility,sodium‐ion batteries}
}

@article{katoHighpowerAllsolidstateBatteries2016,
  title = {High-Power All-Solid-State Batteries Using Sulfide Superionic Conductors},
  author = {Kato, Yuki and Hori, Satoshi and Saito, Toshiya and Suzuki, Kota and Hirayama, Masaaki and Mitsui, Akio and Yonemura, Masao and Iba, Hideki and Kanno, Ryoji},
  year = {2016},
  volume = {1},
  pages = {16030},
  issn = {2058-7546},
  doi = {10.1038/nenergy.2016.30},
  abstract = {Compared with lithium-ion batteries with liquid electrolytes, all-solid-state batteries offer an attractive option owing to their potential in improving the safety and achieving both high power and high energy densities. Despite extensive research efforts, the development of all-solid-state batteries still falls short of expectation largely because of the lack of suitable candidate materials for the electrolyte required for practical applications. Here we report lithium superionic conductors with an exceptionally high conductivity (25 mS cm-1 for Li9.54Si1.74P1.44S11.7Cl0.3), as well as high stability ( {$\sim$}0 V versus Li metal for Li9.6P3S12). A fabricated all-solid-state cell based on this lithium conductor is found to have very small internal resistance, especially at 100 {$\circ$}C. The cell possesses high specific power that is superior to that of conventional cells with liquid electrolytes. Stable cycling with a high current density of 18 C (charging/discharging in just three minutes; where C is the C-rate) is also demonstrated.},
  file = {/Users/shyue/Zotero/storage/3QKCKH7T/2016 - Kato et al. - Nature Energy(2).pdf;/Users/shyue/Zotero/storage/9S48BDQ6/2016 - Kato et al. - Nature Energy.pdf},
  journal = {Nature Energy},
  number = {March}
}

@article{katohLithiumWaterBattery2011,
  title = {Lithium/Water Battery with Lithium Ion Conducting Glass\textendash Ceramics Electrolyte},
  author = {Katoh, Takashi and Inda, Yasushi and Nakajima, Kousuke and Ye, Rongbin and Baba, Mamoru},
  year = {2011},
  month = aug,
  volume = {196},
  pages = {6877--6880},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2011.01.093},
  file = {/Users/shyue/Zotero/storage/C7PD64QE/2011 - Katoh et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  number = {16}
}

@article{katoSynthesisStructureLithium2014,
  title = {Synthesis, Structure and Lithium Ionic Conductivity of Solid Solutions of {{Li10}}({{Ge1}}-{{xMx}}){{P2S12}} ({{M}} = {{Si}}, {{Sn}})},
  author = {Kato, Yuki and Saito, Ryoko and Sakano, Mitsuru and Mitsui, Akio and Hirayama, Masaaki and Kanno, Ryoji},
  year = {2014},
  month = dec,
  volume = {271},
  pages = {60--64},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2014.07.159},
  file = {/Users/shyue/Zotero/storage/HRX635A4/2014 - Kato et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  keywords = {all-solid-state battery,lithium ionic conductor}
}

@article{katsumataMolecularDynamicsSimulation1999,
  title = {Molecular {{Dynamics Simulation}} of the {{High Lithium Ion Conductor}}, {{La0}}.6i0.{{2TiO3}}.},
  author = {Katsumata, T and Inaguma, Y and Itoh, M and Kawamura, K},
  year = {1999},
  volume = {107},
  pages = {615--621},
  abstract = {Molecular dynamics (MD) simulation was carried out on the high Li ion conductor, La0.6Li0.2TiO3, using the partially ionic model (PIM). MD simulation of the Li ion conductivity with the variation of mobile ion size under high pressure revealed that this compound had the optimum lattice size for Li ion conduction and that the skeletal lattice was too small for Li+ ion to show the highest conductivity.},
  journal = {Journal of the Ceramic Society of Japan}
}

@article{katzElectronSmallPolarons2012,
  title = {Electron {{Small Polarons}} and {{Their Mobility}} in {{Iron}} ({{Oxyhydr}})Oxide {{Nanoparticles}}},
  author = {Katz, J. E. and Zhang, X. and Attenkofer, K. and Chapman, K. W. and Frandsen, C. and Zarzycki, P. and Rosso, K. M. and Falcone, R. W. and a. Waychunas, G. and Gilbert, B.},
  year = {2012},
  month = sep,
  volume = {337},
  pages = {1200--1203},
  issn = {0036-8075},
  doi = {10.1126/science.1223598},
  abstract = {Electron mobility within iron (oxyhydr)oxides enables charge transfer between widely separated surface sites. There is increasing evidence that this internal conduction influences the rates of interfacial reactions and the outcomes of redox-driven phase transformations of environmental interest. To determine the links between crystal structure and charge-transport efficiency, we used pump-probe spectroscopy to study the dynamics of electrons introduced into iron(III) (oxyhydr)oxide nanoparticles via ultrafast interfacial electron transfer. Using time-resolved x-ray spectroscopy and ab initio calculations, we observed the formation of reduced and structurally distorted metal sites consistent with small polarons. Comparisons between different phases (hematite, maghemite, and ferrihydrite) revealed that short-range structural topology, not long-range order, dominates the electron-hopping rate.},
  file = {/Users/shyue/Zotero/storage/V7N3N99E/2012 - Katz et al. - Science.pdf},
  journal = {Science},
  number = {6099}
}

@article{kaufmannCrystalSymmetryDetermination2020,
  title = {Crystal Symmetry Determination in Electron Diffraction Using Machine Learning},
  author = {Kaufmann, Kevin and Zhu, Chaoyi and Rosengarten, Alexander S. and Maryanovsky, Daniel and Harrington, Tyler J. and Marin, Eduardo and Vecchio, Kenneth S.},
  year = {2020},
  month = jan,
  volume = {367},
  pages = {564--568},
  issn = {0036-8075, 1095-9203},
  doi = {10.1126/science.aay3062},
  abstract = {Electron backscatter diffraction (EBSD) is one of the primary tools for crystal structure determination. However, this method requires human input to select potential phases for Hough-based or dictionary pattern matching and is not well suited for phase identification. Automated phase identification is the first step in making EBSD into a high-throughput technique. We used a machine learning\textendash based approach and developed a general methodology for rapid and autonomous identification of the crystal symmetry from EBSD patterns. We evaluated our algorithm with diffraction patterns from materials outside the training set. The neural network assigned importance to the same symmetry features that a crystallographer would use for structure identification.},
  file = {/Users/shyue/Zotero/storage/Q7M5LC2R/Kaufmann et al. - 2020 - Crystal symmetry determination in electron diffrac.pdf},
  journal = {Science},
  language = {en},
  number = {6477}
}

@article{kayyarSurfaceAdsorptionDisordering2009,
  title = {Surface Adsorption and Disordering in {{LiFePO}}[Sub 4] Based Battery Cathodes},
  author = {Kayyar, Archana and Qian, Haijun and Luo, Jian},
  year = {2009},
  volume = {95},
  pages = {221905},
  issn = {00036951},
  doi = {10.1063/1.3270106},
  abstract = {A recent study Kang and Ceder, Nature London 458, 190 2009 suggested that a Li4P2O7-like ``fast ion-conducting surface phase'' could form on the surfaces of LiFePO4 particles, enabling ultrafast discharging of Li-ion batteries. We demonstrate that these nanoscale surface films exhibit a self-selecting or ``equilibrium'' thickness, akin to those observed in simpler binary oxides Luo and Chiang, Annu. Rev. Mater. Res. 38, 227 2008. These observations can be interpreted as a case of coupled prewetting and premelting. Similar nanoscale intergranular films are also observed. These nanoscale interfacial phenomena can be utilized to tailor nanoparticles for battery and many other applications.},
  file = {/Users/shyue/Zotero/storage/TEB3K2SB/2009 - Kayyar, Qian, Luo - Applied Physics Letters.pdf},
  journal = {Applied Physics Letters},
  number = {22}
}

@article{keastAuAl2PtAl2Potential2013,
  title = {{{AuAl2}} and {{PtAl2}} as Potential Plasmonic Materials},
  author = {Keast, V.J. and Zwan, B. and Supansomboon, S. and Cortie, M.B. and Persson, P.O.{\AA}.},
  year = {2013},
  month = nov,
  volume = {577},
  pages = {581--586},
  issn = {09258388},
  doi = {10.1016/j.jallcom.2013.06.161},
  abstract = {The dielectric functions of PtAl2, AuAl2 and hypothetical intermediate alloys of the two in the form of AuxPt1\`AxAl2 were calculated from first principles using density functional theory (DFT) and the random phase approximation (RPA). From these, the reflectivity, electron energy-loss spectra (EELS) and small sphere extinction spectra are predicted. The experimental reflectivity and EELS were measured for PtAl2 and showed good agreement with the theoretical spectra. The yellow color of PtAl2 is associated with a bulk plasmon at 3 eV. We predict that the optical properties of hypothetical intermediate alloys would show a smooth evolution with composition. The details of this change can be understood by examination of the underlying density of states (DOS). The predicted small sphere extinction spectra and quality factors show a strong surface plasmon resonance for these materials, with PtAl2 having the optimum performance. The results indicate that these materials are good candidates for applications in plasmonics.},
  file = {/Users/shyue/Zotero/storage/FBIB4UDL/Keast et al. - 2013 - AuAl2 and PtAl2 as potential plasmonic materials.pdf},
  journal = {Journal of Alloys and Compounds},
  language = {en}
}

@article{keastElectronEnergylossNearedge2001,
  title = {Electron Energy-Loss near-Edge Structure - a Tool for the Investigation of Electronic Structure on the Nanometre Scale},
  author = {Keast, V. J. and Scott, A. J. and Brydson, R. and Williams, D. B. and Bruley, J.},
  year = {2001},
  month = aug,
  volume = {203},
  pages = {135--175},
  issn = {0022-2720},
  doi = {10.1046/j.1365-2818.2001.00898.x},
  abstract = {Electron energy-loss near-edge structure (ELNES) is a technique that can be used to measure the electronic structure (i.e. bonding) in materials with subnanometre spatial resolution. This review covers the theoretical principles behind the technique, the experimental procedures necessary to acquire good ELNES spectra, including potential artefacts, and gives examples relevant to materials science.},
  journal = {Journal of Microscopy},
  number = {2},
  pmid = {11489072}
}

@article{kefferCrystalStructureTwinned1967,
  title = {Crystal Structure of Twinned Low-Temperature Lithium Phosphate},
  author = {Keffer, Charles and Mighell, Alan D. and Mauer, Floyd and Swanson, Howard E. and Block, Stanley},
  year = {1967},
  month = jan,
  volume = {6},
  pages = {119--125},
  issn = {0020-1669},
  doi = {10.1021/ic50047a027},
  abstract = {It is shown that lithium phosphate (LiaP04) prepared by precipitation from an aqueous solution differs from the form that has been described in the literature. The lowtemperature form crystallizes in space group PrnnZ1 with ag = 6.1150 =!= 0.0010 A, bg = 5.2394 f 0.0011 A, and cg = 4.8554 f 0.0010 A; 2 = 2. It exhibits merohedral twinning with the twin plane normal to the z axis. The multiplicity of the predominant image is 0.75. When heated it transforms irreversibly at 502 i: 5" to the familiar form. All atoms are tetrahedrally coordinated. The final reliability index is 0.054.},
  file = {/Users/shyue/Zotero/storage/YTE8I82M/1967 - Keffer et al. - Inorganic Chemistry.pdf},
  journal = {Inorganic Chemistry},
  number = {1}
}

@article{kellerLayeredNaIonCathodes2015,
  title = {Layered {{Na}}-{{Ion Cathodes}} with {{Outstanding Performance Resulting}} from the {{Synergetic Effect}} of {{Mixed P}}- and {{O}}-{{Type Phases}}},
  author = {Keller, Marlou and Buchholz, Daniel and Passerini, Stefano},
  year = {2015},
  pages = {n/a--n/a},
  issn = {16146832},
  doi = {10.1002/aenm.201501555},
  file = {/Users/shyue/Zotero/storage/C9Q6ESY2/2015 - Keller, Buchholz, Passerini - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials}
}

@article{kendallElectronAffinitiesFirstrow1992,
  title = {Electron Affinities of the First-Row Atoms Revisited. {{Systematic}} Basis Sets and Wave Functions},
  author = {Kendall, RA and Jr., Dunnin, TH and Harrison, RJ},
  year = {1992},
  month = apr,
  volume = {96},
  pages = {6796},
  issn = {1089-7690},
  abstract = {We present a way to calculate electron paramagnetic resonance (EPR) g-matrices from variationally optimized spin-orbit coupled wave functions. Our method constructs a triangular g-matrix from the matrix representation of the total electron magnetic moment in the basis of the spin-orbit coupled wave functions by means of a projection technique. Principal g-values are obtained in the standard fashion by forming from the triangular matrix g the tensor G=gg(t) and diagonalizing it. In principle, the scheme allows to calculate the spin-orbit orbital Zeeman cross term which usually gives the dominating contribution to the EPR g-shifts for any multiplicity. We have implemented this approach into a multireference spin-orbit configuration interaction (MRSOCI) program [M. Kleinschmidt et al., J. Chem. Phys. 124, 124101 (2006)]. Test applications are carried out for various triplet state sytems. The g-shifts of several of main group diatomics with X (3)Sigma(g)(-) ground state are investigated at the level of ab initio MRSOCI. We obtain perpendicular g-shifts which underestimate experimental Delta g(perpendicular) values from literature by approximately 13\% on the average. For a set of organic triplet state molecules we employ the combined density functional theory/multireference configuration interaction (DFT/MRCI) technique [S. Grimme and M. Waletzke, J. Chem. Phys. 111, 5645 (1999)] to reduce the computational costs of the spin-free correlation problem. This approach yields principal g-values that match experiment well in many cases. Due to the small absolute g-shifts, a rigorous comparison will require the inclusion of first-order contributions such as the relativistic mass correction and gauge correction terms which have not been included here. For the triplet state dication trans-(CNSSS)(2)(2+) the principal g-shifts Delta g(a)=-0.3 ppt, Delta g(b)=17.5 ppt, and Delta g(c)=26.6 ppt are significantly larger and compare rather well to the experimental values Delta g(1)=-0.1+/-0.2 ppt, Delta g(2)=14.8+/-0.2 ppt, and Delta g(3)=24.8+/-0.1 ppt [A. Berces et al., Magn. Reson. Chem. 37, 353 (1999)]. In comparison to conventional truncated sum-over state techniques based on Rayleigh-Schrodinger perturbation theory, our new variational approach shows, in practice, robust and advantageous convergence characteristics with respect to the size of the many-particle basis set. We demonstrate that the DFT/MRSOCI technology is a very feasible means to compute reliable g-shifts for large organic triplet systems at low computational cost.},
  file = {/Users/shyue/Zotero/storage/5NVUGLQP/1992 - Kendall, Jr., Dunnin, Harrison - Journal of Chemical Physics.pdf},
  journal = {Journal of Chemical Physics},
  number = {9}
}

@article{kentPredictiveTheoryCorrelated2018,
  title = {Toward a Predictive Theory of Correlated Materials},
  author = {Kent, Paul R C and Kotliar, Gabriel},
  year = {2018},
  month = jul,
  volume = {361},
  pages = {348--354},
  issn = {0036-8075},
  doi = {10.1126/science.aat5975},
  abstract = {Correlated electron materials display a rich variety of notable properties ranging from unconventional superconductivity to metal-insulator transitions. These properties are of interest from the point of view of applications but are hard to treat theoretically, as they result from multiple competing energy scales. Although possible in more weakly correlated materials, theoretical design and spectroscopy of strongly correlated electron materials have been a difficult challenge for many years. By treating all the relevant energy scales with sufficient accuracy, complementary advances in Green's functions and quantum Monte Carlo methods open a path to first-principles computational property predictions in this class of materials.},
  file = {/Users/shyue/Zotero/storage/UMG63BU3/2018 - Kent, Kotliar - Science.pdf},
  journal = {Science},
  number = {6400}
}

@article{keulEntropicForceGenerated2018,
  title = {The Entropic Force Generated by Intrinsically Disordered Segments Tunes Protein Function},
  author = {Keul, Nicholas D and Oruganty, Krishnadev and Schaper Bergman, Elizabeth T. and Beattie, Nathaniel R and McDonald, Weston E. and Kadirvelraj, Renuka and Gross, Michael L and Phillips, Robert S and Harvey, Stephen C and Wood, Zachary A},
  year = {2018},
  month = nov,
  volume = {563},
  pages = {584--588},
  issn = {0028-0836},
  doi = {10.1038/s41586-018-0699-5},
  file = {/Users/shyue/Zotero/storage/TH2A2LA5/2018 - Keul et al. - Nature.pdf},
  journal = {Nature},
  number = {7732}
}

@article{kichambareElectrochemicalPerformanceHighly2010,
  title = {Electrochemical Performance of Highly Mesoporous Nitrogen Doped Carbon Cathode in Lithium\textendash Oxygen Batteries},
  author = {Kichambare, Padmakar and Kumar, Jitendra and Rodrigues, Stanley and Kumar, Binod},
  year = {2010},
  month = nov,
  volume = {196},
  pages = {3310--3316},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2010.11.112},
  file = {/Users/shyue/Zotero/storage/QYUXVLUJ/2010 - Kichambare et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  keywords = {nitrogen doped mesoporous carbon},
  number = {6}
}

@article{kihiraEffectSimultaneousSubstitution2013,
  title = {Effect of {{Simultaneous Substitution}} of {{Alkali Earth Metals}} and {{Nb}} in {{Li7La3Zr2O12}} on {{Lithium}}-{{Ion Conductivity}}},
  author = {Kihira, Y. and Ohta, S. and Imagawa, H. and Asaoka, T.},
  year = {2013},
  month = apr,
  volume = {2},
  pages = {A56--A59},
  issn = {2162-8726},
  doi = {10.1149/2.001307eel},
  file = {/Users/shyue/Zotero/storage/IX6WK7BX/2013 - Kihira et al. - ECS Electrochemistry Letters.pdf},
  journal = {ECS Electrochemistry Letters},
  number = {7}
}

@article{kimAqueousRechargeableLi2014,
  title = {Aqueous Rechargeable {{Li}} and {{Na}} Ion Batteries},
  author = {Kim, Haegyeom and Hong, Jihyun and Park, Kyu Young and Kim, Hyungsub and Kim, Sung Wook and Kang, Kisuk},
  year = {2014},
  volume = {114},
  pages = {11788--11827},
  issn = {15206890},
  doi = {10.1021/cr500232y},
  abstract = {Aqueous rechargeable alkali-metal ion (Li+,Na+) batteries (ARABs) are promising alternatives for large-scale applications which resolve several challenges of conventional LIBs: (i) the safety issue of flammable organic electrolytes is fundamentally resolved, (ii) the rigorous manufacturing conditions are avoided, and the prices of the electrolyte solvent and salts are relatively low, and (iii) the ionic conductivity of the aqueous electrolyte is higher than those of organic electrolytes by 2 orders of magnitude,14-16 resulting in high round-trip efficiency and energy density even with bulky and scalable electrodes. In addition, they are based on the environmentally benign aqueous electrolyte. In this regard, the suitability of ARABs for large-scale applications has recently been revisited.},
  file = {/Users/shyue/Zotero/storage/JS6MK468/2014 - Kim et al. - Chemical Reviews(2).pdf;/Users/shyue/Zotero/storage/WAJ58Z8H/2014 - Kim et al. - Chemical Reviews.pdf},
  journal = {Chemical Reviews},
  number = {23},
  pmid = {25211308}
}

@article{kimCationSizeMismatchDesign2020,
  title = {Cation-{{Size Mismatch}} as a {{Design Principle}} for {{Enhancing}} the {{Efficiency}} of {{Garnet Phosphors}}},
  author = {Kim, Yoon Hwa and Kim, Ha Jun and Ong, Shyue Ping and Wang, Zhenbin and Im, Won Bin},
  year = {2020},
  month = apr,
  volume = {32},
  pages = {3097--3108},
  issn = {0897-4756, 1520-5002},
  doi = {10.1021/acs.chemmater.0c00095},
  abstract = {In this study, we report on the development of a new garnet phosphor with enhanced optical properties and cost reduction. Samples were prepared using the solid-solution method, in which the chemical unit and substitutions with cation-size mismatch were combined. Solid solutions between two garnet structure compounds, green phosphor Lu3Al5O12:Ce3+ (LuAG:Ce3+) and orange phosphor Lu2CaMg2Si3O12:Ce3+ (Lu3-xCaxAl2-2xMg2xAl3-3xSi3xO12:Ce3+), constituted the complete solid-solution range x (x = 0-1). The crystal structures of all the compounds were discerned through Rietveld refinement based on the X-ray diffraction patterns. The unique occupancy of \{Lu/Ca\}, [Al/Mg], (Al/Si), and O atoms in the solid-solution samples was identified. Optical properties were classified in terms of the excitation and emission spectra, quantum yield, and temperature-dependent photoluminescence intensity. To investigate the relationship between the structural and optical changes, Ba2+ ions (employed for cation-size mismatch) were substituted into dodecahedral and octahedral sites at various concentrations. Finally, we report the development of a new green garnet phosphor via the use of a solid-solution design and cation-size mismatch, the emission intensity of which was measured 116\% higher than that of commercial LuAG:Ce3+.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/4QP3PET3/Kim et al. - 2020 - Cation-Size Mismatch as a Design Principle for Enh.pdf},
  journal = {Chemistry of Materials},
  language = {en},
  number = {7}
}

@article{kimChallengesApproachesHighvoltage2014,
  title = {Challenges and Approaches for High-Voltage Spinel Lithium-Ion Batteries},
  author = {Kim, Jung Hyun and Pieczonka, Nicholas P W and Yang, Li},
  year = {2014},
  volume = {15},
  pages = {1940--1954},
  issn = {14397641},
  doi = {10.1002/cphc.201400052},
  abstract = {Lithium-ion (Li-ion) batteries have been developed for electric vehicle (EV) applications, owing to their high energy density. Recent research and development efforts have been devoted to finding the next generation of cathode materials for Li-ion batteries to extend the driving distance of EVs and lower their cost. LiNi(0.5)Mn(1.5)O(4) (LNMO) high-voltage spinel is a promising candidate for a next-generation cathode material based on its high operating voltage (4.75 V vs. Li), potentially low material cost, and excellent rate capability. Over the last decade, much research effort has focused on achieving a fundamental understanding of the structure-property relationship in LNMO materials. Recent studies, however, demonstrated that the most critical barrier for the commercialization of high-voltage spinel Li-ion batteries is electrolyte decomposition and concurrent degradative reactions at electrode/electrolyte interfaces, which results in poor cycle life for LNMO/graphite full cells. Despite scattered reports addressing these processes in high-voltage spinel full cells, they have not been consolidated into a systematic review article. With this perspective, emphasis is placed herein on describing the challenges and the various approaches to mitigate electrolyte decomposition and other degradative reactions in high-voltage spinel cathodes in full cells.},
  file = {/Users/shyue/Zotero/storage/VU6Z8PB4/2014 - Kim, Pieczonka, Yang - ChemPhysChem.pdf},
  journal = {ChemPhysChem},
  keywords = {cathodes,electrochemistry,high-voltage spinel,lithium,spinel phases},
  number = {10},
  pmid = {24862008}
}

@article{kimColorTiNZrN2011,
  title = {Color of {{TiN}} and {{ZrN}} from First-Principles Calculations},
  author = {Kim, Jinwoong and Jhi, Seung-Hoon and Ryeol Lee, Kwang},
  year = {2011},
  month = oct,
  volume = {110},
  pages = {083501},
  issn = {0021-8979, 1089-7550},
  doi = {10.1063/1.3650264},
  file = {/Users/shyue/Zotero/storage/29JJSA2R/Kim et al. - 2011 - Color of TiN and ZrN from first-principles calcula.pdf},
  journal = {Journal of Applied Physics},
  language = {en},
  number = {8}
}

@article{kimComparativeStudyNa2012,
  title = {A Comparative Study on {{Na}}(2){{MnPO}}(4){{F}} and {{Li}}(2){{MnPO}}(4){{F}} for Rechargeable Battery Cathodes.},
  author = {Kim, Sung-Wook and Seo, Dong-Hwa and Kim, Hyungsub and Park, Kyu-Young and Kang, Kisuk},
  year = {2012},
  month = feb,
  volume = {14},
  pages = {3299--303},
  issn = {1463-9084},
  doi = {10.1039/c2cp40082k},
  abstract = {Electrochemical properties of A(2)MnPO(4)F (A = Na/Li) were investigated both experimentally and with first principles calculations. A new Li(2)MnPO(4)F phase was successfully synthesized for the first time. A one alkali metal ion reaction occurred reversibly within a reasonable voltage window and a two alkali metal ion reaction took place at higher voltages.},
  file = {/Users/shyue/Zotero/storage/DDSE5YR9/2012 - Kim et al. - Physical chemistry chemical physics PCCP(2).pdf},
  journal = {Physical chemistry chemical physics : PCCP},
  number = {10},
  pmid = {22306916}
}

@article{kimComparisonDestabilizationMechanisms2012,
  title = {A Comparison of Destabilization Mechanisms of the Layered {{Na}}(x){{MO2}} and {{Li}}(x){{MO2}} Compounds upon Alkali de-Intercalation.},
  author = {Kim, Sangtae and Ma, Xiaohua and Ong, Shyue Ping and Ceder, Gerbrand},
  year = {2012},
  month = nov,
  volume = {14},
  pages = {15571--8},
  issn = {1463-9084},
  doi = {10.1039/c2cp43377j},
  abstract = {To understand the difference in reversible energy storage capacity between the O3-type layered Na and Li compounds, we use first principles calculations to study and contrast the effect of two well-known destabilization mechanisms, transformation into the spinel-type structures and cation mixing due to transition metal migration. This study is performed on the layered oxides at the A(0.5)MO(2) composition, where A = (Na, Li) and M is a 3d transition metal. We find that while all Li(0.5)MO(2) compounds have strong driving forces and low energy kinetic paths to transform to the spinel structure, Na(0.5)MO(2) compounds do not have thermodynamic driving forces to transform to spinel type structures. We also find that transition metal mobility is higher in Li layered compounds than in Na layered compounds because of the unusual activated state for transition metal hopping. For many compounds, migration goes along an oct-tet-oct path, but transition metal migration needs to be assisted by alkali migration into a tetrahedral site forming activated A(tet)-M(tet) defects; substituting Na for Li in the layered structure results in increased transition metal migration barriers due to the larger size of Na(+) ions. Overall, our findings indicate that Na compounds in the layered O3 structure have fundamentally different destabilization mechanisms to those of Li compounds. This distinction allows superior battery electrode performance in many Na compounds and offers optimistic perspective on finding many high energy density Na electrodes that cycle with stable high capacity.},
  copyright = {All rights reserved},
  file = {/Users/shyue/Zotero/storage/2JH6AMSB/2012 - Kim et al. - Physical chemistry chemical physics PCCP.pdf},
  journal = {Physical chemistry chemical physics : PCCP},
  number = {44},
  pmid = {23076452}
}

@article{kimControlledNanoparticleMetal2005,
  title = {Controlled {{Nanoparticle Metal Phosphates}} ({{Metal}}={{Al}}, {{Fe}}, {{Ce}}, and {{Sr}}) {{Coatings}} on {{LiCoO}}[Sub 2] {{Cathode Materials}}},
  author = {Kim, Jisuk and Noh, Mijung and Cho, Jaephil and Kim, HyunMi and Kim, Ki-Bum},
  year = {2005},
  volume = {152},
  pages = {A1142},
  issn = {00134651},
  doi = {10.1149/1.1896526},
  file = {/Users/shyue/Zotero/storage/GKU95EAJ/2005 - Kim et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {6}
}

@article{kimConversionBasedCathode2018,
  title = {Conversion-{{Based Cathode Materials}} for {{Rechargeable Sodium Batteries}}},
  author = {Kim, Jongsoon and Kim, Hyungsub and Kang, Kisuk},
  year = {2018},
  volume = {1702646},
  pages = {1--20},
  issn = {1614-6840},
  doi = {10.1002/AENM.201702646},
  file = {/Users/shyue/Zotero/storage/P6SU7DF6/2018 - Kim, Kim, Kang - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials},
  keywords = {cathodes,conversion reactions,electrode materials,energy storage systems,rechargeable sodium batteries}
}

@article{kimDesignNickelrichLayered2015,
  title = {Design of {{Nickel}}-Rich {{Layered Oxides Using}} d {{Electronic Donor}} for {{Redox Reactions}}},
  author = {Kim, Duho and Lim, Jin-Myoung and Lim, Young-Geun and Yu, Ji-Sang and Park, Min-Sik and Cho, Maenghyo and Cho, Kyeongjae},
  year = {2015},
  volume = {2},
  pages = {150901085523008},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.5b02697},
  file = {/Users/shyue/Zotero/storage/XQWBXCT5/2015 - Kim et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials}
}

@article{kimEffectAntisiteDisorder2015,
  title = {The Effect of Antisite Disorder and Particle Size on {{Li}} Intercalation Kinetics in Monoclinic {{LiMnBO}}\textbackslash textlessinf\textbackslash textgreater3\textbackslash textless/Inf\textbackslash textgreater},
  author = {Kim, Jae Chul and Seo, Dong Hwa and Chen, Hailong and Ceder, Gerbrand},
  year = {2015},
  volume = {5},
  issn = {16146840},
  doi = {10.1002/aenm.201401916},
  abstract = {In materials containing 1D lithium diffusion channels, cation disorder can strongly affect lithium intercalation processes. This work presents a model to explain the unusual transport properties of monoclinic LiMnBO3, a material determined by scanning electron microscopy and synchrotron X-ray diffraction to contain a wide particle size distribution and Mn/Li antisite disorder. First-principles calculations indicate that Mn occupying Li sites obstruct the 1D lithium diffusion channel along the [001] direction. While channel blockage by the antisites significantly lowers Li mobility in large particles, Li kinetics in small particles and particle surfaces are found to be less sensitive to the presence of antisite disorder. Thus, in an electrode containing a large particle size distribution, smaller particles have higher Li mobility, and the measured Li diffusivity as determined by potentiostatic intermittent titration test varies as a function of particle size. The Li capacity in monoclinic LiMnBO3 is kinetically controlled by the fraction of large particles with antisite disorder, but is not intrinsically limited. These results strongly suggest that particle nanosizing will significantly enhance the electrochemical performance of LiMnBO3.},
  file = {/Users/shyue/Zotero/storage/TLJKX9UT/2015 - Kim et al. - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials},
  keywords = {1D diffusion,antisite disorder,first-principles computation,Li-ion batteries,monoclinic LiMnBO\\textlessinf\\textgreater3\\textless/inf\\textgreater cathodes},
  number = {8}
}

@article{kimEffectEtherGroup2008,
  title = {Effect of Ether Group on the Electrochemical Stability of Zwitterionic Imidazolium Compounds},
  author = {Kim, H and Nguyen, DQ and Bae, HW and Lee, JS and Cho, BW and Kim, HS and Cheonga, M and Lee, H},
  year = {2008},
  volume = {10},
  pages = {1761--1764},
  doi = {10.1016/j.elecom.2008.09.006},
  file = {/Users/shyue/Zotero/storage/AW6DTTPL/2008 - Kim et al. - Electrochemistry Communications.pdf},
  journal = {Electrochemistry Communications}
}

@article{kimEffectSynthesisConditions2006,
  title = {Effect of Synthesis Conditions on the Properties of {{LiFePO4}} for Secondary Lithium Batteries},
  author = {Kim, D and Park, H and Jung, S and Jeong, Y and Lee, J and Kim, J},
  year = {2006},
  month = sep,
  volume = {159},
  pages = {237--240},
  issn = {03787753},
  doi = {10.1016/j.jpowsour.2006.04.086},
  file = {/Users/shyue/Zotero/storage/GBZD3KWY/2006 - Kim et al. - Journal of Power Sources.pdf},
  journal = {Journal of Power Sources},
  keywords = {electronic conductivity,li-ion batteries,lifepo 4,surface area},
  number = {1}
}

@article{kimElectrochemicalStabilityThinFilm2003,
  title = {Electrochemical {{Stability}} of {{Thin}}-{{Film LiCoO}} 2 {{Cathodes}} by {{Aluminum}}-{{Oxide Coating}}},
  author = {Kim, Yong Jeong and Kim, Hyemin and Kim, Byoungsoo and Ahn, Donggi and Lee, Joon-gon and Kim, Tae-Joon and Son, Dongyeon and Cho, Jaephil and Kim, Young-woon and Park, Byungwoo},
  year = {2003},
  month = apr,
  volume = {15},
  pages = {1505--1511},
  issn = {0897-4756},
  doi = {10.1021/cm0201403},
  file = {/Users/shyue/Zotero/storage/EM47USBF/2003 - Kim et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {7}
}

@article{kimElectrodeMaterialsRechargeable2012,
  title = {Electrode {{Materials}} for {{Rechargeable Sodium}}-{{Ion Batteries}}: {{Potential Alternatives}} to {{Current Lithium}}-{{Ion Batteries}}},
  author = {Kim, Sung-Wook and Seo, Dong-Hwa and Ma, Xiaohua and Ceder, Gerbrand and Kang, Kisuk},
  year = {2012},
  month = jul,
  volume = {2},
  pages = {710--721},
  issn = {16146832},
  doi = {10.1002/aenm.201200026},
  abstract = {Lithium (Li)-ion batteries (LIB) have governed the current worldwide rechargeable battery market due to their outstanding energy and power capability. In particular, the LIB's role in enabling electric vehicles (EVs) has been highlighted to replace the current oil-driven vehicles in order to reduce the usage of oil resources and generation of CO 2 gases. Unlike Li, sodium is one of the more abundant elements on Earth and exhibits similar chemical properties to Li, indicating that Na chemistry could be applied to a similar battery system. In the 1970s-80s, both Na-ion and Li-ion electrodes were investigated, but the higher energy density of Li-ion cells made them more applicable to small, portable electronic devices, and research efforts for rechargeable batteries have been mainly concentrated on LIB since then. Recently, research interest in Na-ion batteries (NIB) has been resurrected, driven by new applications with requirements different from those in portable electronics, and to address the concern on Li abundance. In this article, both negative and positive electrode materials in NIB are briefl y reviewed. While the voltage is generally lower and the volume change upon Na removal or insertion is larger for Na-intercalation electrodes, compared to their Li equivalents, the power capability can vary depending on the crystal structures. It is concluded that cost-effective NIB can partially replace LIB, but requires further investigation and improvement.},
  file = {/Users/shyue/Zotero/storage/89GIPIZK/2012 - Kim et al. - Advanced Energy Materials(2).pdf},
  journal = {Advanced Energy Materials},
  number = {7}
}

@article{kimEnablingSodiumBatteries2011,
  title = {Enabling {{Sodium Batteries Using Lithium}}-{{Substituted Sodium Layered Transition Metal Oxide Cathodes}}},
  author = {Kim, Donghan and Kang, Sun-Ho and Slater, Michael and Rood, Shawn and Vaughey, John T. and Karan, Naba and Balasubramanian, Mahalingam and Johnson, Christopher S.},
  year = {2011},
  month = may,
  volume = {1},
  pages = {333--336},
  issn = {16146832},
  doi = {10.1002/aenm.201000061},
  file = {/Users/shyue/Zotero/storage/C89PM2TU/2011 - Kim et al. - Advanced Energy Materials.pdf},
  journal = {Advanced Energy Materials},
  number = {3}
}

@article{kimExperimentalFirstprinciplesThermodynamic2011,
  title = {Experimental and First-Principles Thermodynamic Study of the Formation and Effects of Vacancies in Layered Lithium Nickel Cobalt Oxides},
  author = {Kim, Yongseon and Kim, Doyu and Kang, Shinhoo},
  year = {2011},
  month = nov,
  pages = {111110100805004},
  issn = {0897-4756},
  doi = {10.1021/cm202415x},
  abstract = {The formation of vacancies and the structural stability of layered lithium nickel oxide (LNO)-based cathode materials are investigated. The thermodynamic stability of oxygen and lithium vacancies and their most stable configurations are examined by first-principles density functional theory calculations. The underlying chemical mechanism is analyzed by a molecular orbital method. The weaker ionic bonding between Ni and O than between Co and O is found to be the main cause for the imperfect structure of LNO crystals. Based on these calculations, phase diagrams of the Li\textendash (Ni,Co)\textendash O system were simulated. The crystals containing vacancies are included as independent phases in the simulation. This approach enabled investigation of the relationship between the processing conditions and vacancy formation. The O and Li vacancy pairs are simulated to appear with high temperature processing. Based on the calculation of energy barriers, we speculate that these vacancy pairs provide an alternative migration route for Ni ions, which causes the observed structural instability. The effect of oxygen partial pressure was also examined. The first-principles calculation results were compared with experimental results, which showed excellent agreement confirming the validity of the models and calculation methods used in this study.},
  file = {/Users/shyue/Zotero/storage/TAGZP8RG/2011 - Kim, Kim, Kang - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials}
}

@article{kimFerromagnetismSingleCrystal2011,
  title = {Ferromagnetism in Single Crystal and Nanocomposite {{Sr}}({{Ti}},{{Fe}}){{O3}} Epitaxial Films},
  author = {Kim, Hyun-Suk and Bi, Lei and Kim, Dong Hun and Yang, Dae-Jin and Choi, Yoon Jeong and Lee, Jung Woo and Kang, Jeung Ku and Chang Park, Yun and Dionne, Gerald F. and a. Ross, Caroline},
  year = {2011},
  volume = {21},
  pages = {10364},
  issn = {0959-9428},
  doi = {10.1039/c1jm11286d},
  abstract = {The ferromagnetic properties and electrical leakage current of single-phase SrTi1xFexO3 (STF) perovskite films are compared for two different samples: a single-crystal film with a (100) orientation, and a `doubly oriented' nanocomposite film consisting of (110)-oriented nanopillars embedded homoepitaxially in a (100)-oriented matrix. The STF films contain mixed valence Fe ions, with a lower average valence state present in the single crystal film. The films are under an in-plane compressive strain, and exhibit an out-of-plane magnetic easy axis due to magnetoelastic effects. The nanopillars in the double-epitaxial STF films act as single ferromagnetic domains, whereas the single-crystal films show a maze-like domain structure. Composition fluctuations seen in single-crystal films are suppressed in the double-epitaxial structure, which has a lower electrical leakage current. First-principles modeling supports a tendency for Fe ions to occupy adjacent sites. The correlations between the valence state and distribution of the Fe ions, the microstructure, and the magnetic and electrical properties provide a general method of tailoring the properties of perovskite films, which have immense technological value in a range of multiferroic, ferromagnetic, optical, spintronic and hybrid devices.},
  file = {/Users/shyue/Zotero/storage/23KRGMW8/2011 - Kim et al. - Journal of Materials Chemistry.pdf},
  journal = {Journal of Materials Chemistry},
  number = {28}
}

@article{kimFirstprinciplesCalculationsPhase2016,
  title = {First-Principles Calculations of the Phase Stability and the Elastic and Mechanical Properties of {$\eta$}-Phases in the {{WC}}\textendash{{Co}} System},
  author = {Kim, Jiwoong and Suh, Yong Jae and Kang, Ilmo},
  year = {2016},
  month = jan,
  volume = {656},
  pages = {213--217},
  issn = {09258388},
  doi = {10.1016/j.jallcom.2015.09.214},
  abstract = {W2C, W3Co3C, W4Co2C, and W6Co6C are h-phases of the WCeCo system. The phases emerge under carbon-deficient conditions during powder preparation and sintering; however, their properties have not been fully explored. Therefore, we investigated the phase stability and the elastic and mechanical properties of these four phases by first-principles calculations. Phase stabilities were examined with cohesive and formation energies and crystal-structure-dependent Born stability criteria. Stressestrain relations were used to obtain the elastic moduli of hexagonal structured WC and the h-phases. Calculated elastic properties were compared with those of WC, and we obtained the mechanical properties of the h-phases by using the calculated elastic moduli and empirical formulas. The elastic and mechanical properties of the h-phases were explained by their electronic structures. These findings will provide useful information for estimating variations in the overall mechanical properties of the WCeCo system arising from the different h-phases.},
  file = {/Users/shyue/Zotero/storage/MKSL9ZDM/Kim et al. - 2016 - First-principles calculations of the phase stabili.pdf},
  journal = {Journal of Alloys and Compounds},
  language = {en}
}

@article{kimFirstprinciplesThermodynamicCalculations2013,
  title = {First-Principles {{Thermodynamic Calculations}} and {{Experimental Investigation}} of {{Sr}}\textendash{{Si}}\textendash{{N}}\textendash{{O System}}\textemdash{{Synthesis}} of {{Sr2Si5N8}}:{{Eu Phosphor}}},
  author = {Kim, Yongseon and Kim, Jaecheol and Kang, Shinhoo},
  year = {2013},
  issn = {2050-7526},
  doi = {10.1039/c2tc00223j},
  abstract = {Thermodynamic stabilities of the phases of Sr\textendash Si\textendash N\textendash O system were evaluated by simulating phase diagrams at various conditions based on first-principles density functional theory calculations. Synthesis conditions and stability of the compounds belonging to the system, in which oxidation and nitridation reactions are involved complicatedly, could be interpreted through this first systematic investigation on the two-gas system. Practical synthetic methods of nitrides, such as hydrogen-reduction and nitridation or carbothermal reduction and nitridation reactions were studied with special attention. This study enabled us to calculate proper conditions for synthesis of Sr2Si5N8 phase, which is drawing attention as a new phosphor material for light emitting diodes. The types of impurities appearing with break of the proper synthetic conditions were also investigated, which may provide information about optimizing synthesis conditions. Synthesis of Sr2Si5N8:Eu phosphor using SiO2, instead of conventionally used Si3N4, was predicted by first-principles calculations, and we succeeded in synthesizing Sr2Si5N8:Eu phosphor for the first time using all oxide raw materials under normal pressure on the basis. The results of this study are expected to provide useful guidelines for synthesis of nitrides and the established simulation method may effectively be applied to other multi-gas systems.},
  file = {/Users/shyue/Zotero/storage/KKIW8JYJ/2013 - Kim, Kim, Kang - Journal of Materials Chemistry C.pdf},
  journal = {Journal of Materials Chemistry C},
  number = {207890}
}

@article{kimHighEnergyDensity2017,
  title = {High {{Energy Density Polyanion Electrode Material}}: {{LiVPO}} 4 {{O}} 1\textendash{} x {{F}} x ( x {$\approx$} 0.25) with {{Tavorite Structure}}},
  author = {Kim, Minkyung and Lee, Seongsu and Kang, Byoungwoo},
  year = {2017},
  month = jun,
  volume = {29},
  pages = {4690--4699},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.7b00124},
  file = {/Users/shyue/Zotero/storage/DE8AQJME/2017 - Kim, Lee, Kang - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {11}
}

@article{kimHighIonConducting2017,
  title = {High {{Ion Conducting Nanohybrid Solid Polymer Electrolytes}} via {{Single}}-{{Ion Conducting Mesoporous Organosilica}} in {{Poly}}(Ethylene Oxide)},
  author = {Kim, Youngdo and Kwon, Suk Jin and Jang, Hye-kyeong and Jung, Byung Mun and Lee, Sang Bok and Choi, U Hyeok},
  year = {2017},
  month = may,
  volume = {356},
  pages = {acs.chemmater.7b00879},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.7b00879},
  file = {/Users/shyue/Zotero/storage/IV299T5X/2017 - Kim et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials},
  number = {6336}
}

@article{kimHybridSolidElectrolyte2015,
  title = {A Hybrid Solid Electrolyte for Flexible Solid-State Sodium Batteries},
  author = {Kim, Jae-Kwang and Lim, Young Jun and Kim, Hyojin and Cho, Guy-Bong and Kim, Youngsik},
  year = {2015},
  issn = {1754-5692},
  doi = {10.1039/C5EE01941A},
  file = {/Users/shyue/Zotero/storage/HTGZV58T/2015 - Kim et al. - Energy Environ. Sci(2).pdf},
  journal = {Energy Environ. Sci.}
}

@article{kimLayeredNaNi12012,
  title = {Layered {{Na}}[{{Ni1}}/{{3Fe1}}/{{3Mn1}}/3]{{O2}} Cathodes for {{Na}}-Ion Battery Application},
  author = {Kim, Donghan and Lee, Eungje and Slater, Michael and Lu, Wenquan and Rood, Shawn and Johnson, Christopher S.},
  year = {2012},
  month = jan,
  volume = {18},
  pages = {66--69},
  issn = {13882481},
  doi = {10.1016/j.elecom.2012.02.020},
  abstract = {Na-ion batteries were tested with layered Na(Ni1/3Fe1/3Mn1/3)O2 cathodes and carbon anodes in a sodiumsalt containing organic ester carbonate electrolyte. Layered single phase Na(Ni1/3Fe1/3Mn1/3)O2 was synthesized from solid-state reaction using a (Ni1/3Fe1/3Mn1/3)C2O4 oxalate precursor and Na2CO3 fired at 850 \textdegree C with slow-cooling. The Na-ion NayC/Na1-y(Ni1/3Fe1/3Mn1/3)O2 cell had an average voltage of {$\sim$}2.75 V, modest capacity of 100 mA h g-1 for 150 cycles (1.5\textendash 4.0 V), and a capacity of 94 mA h g-1 at a 1 \textdegree C rate. X-ray diffraction (XRD) data of extracted cycled electrodes were used to characterize material stability and phases formed upon cycling. It was found that Na1-y(Ni1/3Fe1/3Mn1/3)O2 (0{$\leq$}y{$\leq$}0.46) maintains a layered structure with good crystallinity over 150 cycles. These results bode well for the development and optimization of rechargeable Na-ion batteries.},
  file = {/Users/shyue/Zotero/storage/YBDUUY7L/2012 - Kim et al. - Electrochemistry Communications.pdf},
  journal = {Electrochemistry Communications},
  keywords = {Carbon,Layered electrodes,Metal oxide,Na-ion,sodium ion batteries}
}

@article{kimLiFePO4AlluauditeCrystal2013,
  title = {{{LiFePO4}} with {{Alluaudite}} Crystal Structure for {{Lithium}} Ion {{Batteries}}},
  author = {Kim, Jongsoon and Kim, Hyung-Sub and Park, Inchul and Park, Young-Uk and Yoo, Jung-Keun and Park, Kyu-Young and Lee, Seongsu and Kang, Kisuk},
  year = {2013},
  issn = {1754-5692},
  doi = {10.1039/c3ee24393a},
  abstract = {A novel Na-pillared LiFePO4 with alluaudite structure is reported and its structure is investigated. The alluaudite- LiFePO4 allowed fast lithium diffusion with stable electrochemical cycling in lithium batteries. {$\sim$}0.8Li+ could be 10 extracted and reinserted reversibly for extended cycles via one-phase reaction in contrast to the well-known two-phase reaction in olivine-LiFePO4.},
  journal = {Energy \& Environmental Science},
  number = {207890}
}

@article{kimMachinelearnedCodifiedSynthesis2017,
  title = {Machine-Learned and Codified Synthesis Parameters of Oxide Materials},
  author = {Kim, Edward and Huang, Kevin and Tomala, Alex and Matthews, Sara and Strubell, Emma and Saunders, Adam and McCallum, Andrew and Olivetti, Elsa},
  year = {2017},
  volume = {4},
  pages = {170127},
  issn = {2052-4463},
  doi = {10.1038/sdata.2017.127},
  file = {/Users/shyue/Zotero/storage/YRANCMAE/2017 - Kim et al. - Scientific Data.pdf},
  journal = {Scientific Data}
}

@article{kimMagneticMagnetoopticalProperties2008,
  title = {Magnetic and Magneto-Optical Properties of {{Fe}}-Doped {{SrTiO}}[Sub 3] Films},
  author = {Kim, Hyun-Suk and Bi, Lei and Dionne, G. F. and a. Ross, C.},
  year = {2008},
  volume = {93},
  pages = {092506},
  issn = {00036951},
  doi = {10.1063/1.2977963},
  abstract = {Epitaxial films of magnetically doped SrTi1-xFexO3 x0.5 were grown on 001 LaAlO3 substrates by pulsed laser deposition. Structural and magnetic studies indicate that the observed ferromagnetism is intrinsic rather than from an impurity phase. The higher transparency with Fe doping is attributed to charge compensation resulting from hole doping by Fe incorporation into the SrTiO3 lattice. SrTi0.6Fe0.4O3 has a reasonably high Faraday rotation of 0.078 deg/m accompanied by low optical loss 0.07 dB/m, which makes it a promising candidate for integrated waveguide isolator applications.},
  file = {/Users/shyue/Zotero/storage/YHJ2EIA5/2008 - Kim et al. - Applied Physics Letters.pdf},
  journal = {Applied Physics Letters},
  number = {9}
}

@article{kimMagnetoelasticEffectsSrTi2011,
  title = {Magnetoelastic Effects in {{SrTi}}\_\{1-x\}{{M}}\_\{x\}{{O}}\_\{3\} ({{M}} = {{Fe}}, {{Co}}, or {{Cr}}) Epitaxial Thin Films},
  author = {Kim, Dong and Bi, Lei and Jiang, Peng and Dionne, Gerald and Ross, C.},
  year = {2011},
  month = jul,
  volume = {84},
  pages = {1--9},
  issn = {1098-0121},
  doi = {10.1103/PhysRevB.84.014416},
  abstract = {SrTi1-xMxO3 films in whichM=Fe,Co, or Cr and x = 0.04\textendash 0.5 have been grown epitaxially onCeO2-buffered Si, SrTiO3, and LaAlO3 substrates. Films grown in vacuum containing Fe or Co typically showed a strong uniaxial magnetic anisotropy in the out-of-plane direction, a saturation moment on the order of 0.5{$\mu$}B/Fe or Co, and a magnetization that persists to temperatures of order 1000 K. In contrast, films containing Cr showed no evidence of a spontaneous magnetic moment. The films are typically in a high in-plane compressive strain state due to epitaxial growth. The results are discussed in terms of the magnetoelastic effects from specific ionic valence states, and the magnetization versus temperature curves are fitted to a model for magnetoelastic spin ordering.},
  file = {/Users/shyue/Zotero/storage/AAC43KJL/2011 - Kim et al. - Physical Review B.pdf},
  journal = {Physical Review B},
  number = {1}
}

@article{kimMaterialsSynthesisInsights2017,
  title = {Materials {{Synthesis Insights}} from {{Scientific Literature}} via {{Text Extraction}} and {{Machine Learning}}},
  author = {Kim, Edward and Huang, Kevin and Saunders, Adam and McCallum, Andrew and Ceder, Gerbrand and Olivetti, Elsa},
  year = {2017},
  volume = {29},
  pages = {9436--9444},
  issn = {15205002},
  doi = {10.1021/acs.chemmater.7b03500},
  abstract = {In the past several years, Materials Genome Initiative (MGI) efforts have produced myriad examples of computationally designed materials in the fields of energy storage, catalysis, thermoelectrics, and hydrogen storage as well as large data resources that are used to screen for potentially transformative compounds. The bottleneck in high-throughput materials design has thus shifted to materials synthesis, which motivates our development of a methodology to automatically compile materials synthesis parameters across tens of thousands of scholarly publications using natural language processing techniques. To demonstrate our framework's capabilities, we examine the synthesis conditions for various metal oxides across more than 12 thousand manuscripts. We then apply machine learning methods to predict the critical parameters needed to synthesize titania nanotubes via hydrothermal methods and verify this result against known mechanisms. Finally, we demonstrate the capacity for transfer learning by using machin...},
  file = {/Users/shyue/Zotero/storage/H57KYI5H/2017 - Kim et al. - Chemistry of Materials(2).pdf;/Users/shyue/Zotero/storage/LYSIWFP4/2017 - Kim et al. - Chemistry of Materials(3).pdf},
  journal = {Chemistry of Materials},
  number = {21}
}

@article{kimNaFePPromising2012,
  title = {Na 2 {{FeP}} 2 {{O}} 7 as a {{Promising Iron}}-{{Based Pyrophosphate Cathode}} for {{Sodium Rechargeable Batteries}}: {{A Combined Experimental}} and {{Theoretical Study}}},
  author = {Kim, Heejin and a. Shakoor, R. and Park, Chansun and Lim, Soo Yeon and Kim, Joo-Seong and Jo, Yong Nam and Cho, Woosuk and Miyasaka, Keiichi and Kahraman, Ramazan and Jung, Yousung and Choi, Jang Wook},
  year = {2012},
  month = oct,
  pages = {n/a--n/a},
  issn = {1616301X},
  doi = {10.1002/adfm.201201589},
  abstract = {Considering the promising electrochemical performance of the recently reported pyrophosphate family in lithium ion batteries as well as the increasing importance of sodium ion batteries (SIBs) for emerging largescale applications, here, the crystal structure, electrochemical properties, and thermal stability of Na 2 FeP 2 O 7 , the fi rst example ever reported in the pyrophosphate family for SIBs, are investigated. Na 2 FeP 2 O 7 maintains welldefi ned channel structures (triclinic framework under the P1 space group) and exhibits a reversible capacity of {$\approx$} 90 mAh g - 1 with good cycling performance. Both quasi-equilibrium measurements and fi rst-principles calculations consistently indicate that Na 2 FeP 2 O 7 undergoes two kinds of reactions over the entire voltage range of 2.0\textendash 4.5 V (vs Na/Na + ): a single-phase reaction around 2.5 V and a series of two-phase reactions in the voltage range of 3.0\textendash 3.25 V. Na 2 FeP 2 O 7 shows excellent thermal stability up to 500 \textdegree{} C, even in the partially desodiated state (NaFeP 2 O 7 ), which suggests its safe character, a property that is very critical for large-scale battery applications.},
  file = {/Users/shyue/Zotero/storage/G2Q6L9BH/2012 - Kim et al. - Advanced Functional Materials.pdf},
  journal = {Advanced Functional Materials}
}

@article{kimNaMnTextlesssubTextgreater2x2016,
  title = {{{NaMn}} \textbackslash textlesssub\textbackslash textgreater2-X\textbackslash textless/Sub\textbackslash textgreater {{Ni}} \textbackslash textlesssub\textbackslash textgreaterx\textbackslash textless/Sub\textbackslash textgreater {{O}} \textbackslash textlesssub\textbackslash textgreater4\textbackslash textless/Sub\textbackslash textgreater {{Derived}} from {{Mesoporous LiMn}} \textbackslash textlesssub\textbackslash textgreater2-X\textbackslash textless/Sub\textbackslash textgreater {{Ni}} \textbackslash textlesssub\textbackslash textgreaterx\textbackslash textless/Sub\textbackslash textgreater {{O}} \textbackslash textlesssub\textbackslash textgreater4\textbackslash textless/Sub\textbackslash textgreater : {{High}}-{{Voltage Spinel Cathode Materials}} for {{Na}}-{{Ion Batteries}}},
  author = {Kim, J. R. and Amatucci, G. G.},
  year = {2016},
  volume = {163},
  pages = {A696--A705},
  issn = {0013-4651},
  doi = {10.1149/2.0831605jes},
  file = {/Users/shyue/Zotero/storage/M8K4NZ7E/2016 - Kim, Amatucci - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {5}
}

@article{kimNaPONew2018,
  title = {Na 3 {{V}}({{PO}} 4 ) 2 : {{A New Layered}}-{{Type Cathode Material}} with {{High Water Stability}} and {{Power Capability}} for {{Na}}-{{Ion Batteries}}},
  author = {Kim, Jongsoon and Yoon, Gabin and Kim, Hyungsub and Park, Young-Uk and Kang, Kisuk},
  year = {2018},
  month = may,
  pages = {acs.chemmater.8b00458},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.8b00458},
  abstract = {We introduce Na 3 V(PO 4 ) 2 as a new cathode material for Na-ion batteries for the first time. The structure of Na 3 V(PO 4 ) 2 was determined using X-ray diffraction and Rietveld refinement, and its high water stability was clearly demonstrated. The redox potential of Na3V(PO4)2 ({$\sim$}3.5 V vs Na/Na+) was shown to be sufficiently high to prevent the side reaction with water (Na extraction and water insertion), ensuring its water stability in ambient air. Na 3 V(PO 4 ) 2 also exhibited outstanding power capability, with {$\sim$}79\% of the theoretical capacity being delivered at 15C. First-principles calculation combined with electrochemical experiments linked this high power capability to the low activation barrier ({$\sim$}433 meV) for the well-interconnected two-dimensional Na diffusion pathway. Moreover, outstanding cyclability of Na3V(PO4)2 ({$\sim$}70\% retention of the initial capacity after 200 cycles) was achieved at a reasonably fast current rate of 1C.},
  file = {/Users/shyue/Zotero/storage/GFEIGGTP/2018 - Kim et al. - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials}
}

@article{kimNewIronbasedMixedpolyanion2012,
  title = {New Iron-Based Mixed-Polyanion Cathodes for Lithium and Sodium Rechargeable Batteries: Combined First Principles Calculations and Experimental Study.},
  author = {Kim, Hyungsub and Park, Inchul and Seo, Dong-Hwa and Lee, Seongsu and Kim, Sung-Wook and Kwon, Woo Jun and Park, Young-Uk and Kim, Chul Sung and Jeon, Seokwoo and Kang, Kisuk},
  year = {2012},
  month = jun,
  volume = {134},
  pages = {10369--72},
  issn = {1520-5126},
  doi = {10.1021/ja3038646},
  abstract = {New iron-based mixed-polyanion compounds Li(x)Na(4-x)Fe(3)(PO(4))(2)(P(2)O(7)) (x = 0-3) were synthesized, and their crystal structures were determined. The new compounds contained three-dimensional (3D)sodium/lithium paths supported by P(2)O(7) pillars in the crystal. First principles calculations identified the complex 3D paths with their activation barriers and revealed them as fast ionic conductors. The reversible electrode operation was found in both Li and Na cells with capacities of one-electron reaction per Fe atom, 140 and 129 mAh g(-1), respectively. The redox potential of each phase was {$\sim$}3.4 V (vs Li) for the Li-ion cell and {$\sim$}3.2 V (vs Na) for the Na-ion cell. The properties of high power, small volume change, and high thermal stability were also recognized, presenting this new compound as a potential competitor to other iron-based electrodes such as Li(2)FeP(2)O(7), Li(2)FePO(4)F, and LiFePO(4).},
  file = {/Users/shyue/Zotero/storage/DJGEI8TW/2012 - Kim et al. - Journal of the American Chemical Society.pdf},
  journal = {Journal of the American Chemical Society},
  number = {25},
  pmid = {22667817}
}

@article{kimOrganizedHighthroughputData2016,
  title = {From {{Organized High}}-Throughput {{Data}} to {{Phenomenological Theory}} Using {{Machine Learning}}: {{The Example}} of {{Dielectric Breakdown}}},
  author = {Kim, Chiho and Pilania, Ghanshyam and Ramprasad, Rampi},
  year = {2016},
  pages = {acs.chemmater.5b04109},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.5b04109},
  file = {/Users/shyue/Zotero/storage/LMEPLA3B/2016 - Kim, Pilania, Ramprasad - Chemistry of Materials.pdf},
  journal = {Chemistry of Materials}
}

@article{kimOxygenVacanciesEnhance2016,
  title = {Oxygen Vacancies Enhance Pseudocapacitive Charge Storage Properties of {{MoO3}}-x},
  author = {Kim, Hyung-Seok and Cook, John B. and Lin, Hao and Ko, Jesse S. and Tolbert, Sarah H. and Ozolins, Vidvuds and Dunn, Bruce},
  year = {2016},
  volume = {1},
  issn = {1476-1122},
  doi = {10.1038/nmat4810},
  file = {/Users/shyue/Zotero/storage/HKAK6PW6/2016 - Kim et al. - Nature Materials.pdf},
  journal = {Nature Materials},
  number = {December}
}

@article{kimPhaseStabilityStudy2009,
  title = {Phase {{Stability Study}} of {{Li}}[Sub 1-x]{{MnPO}}[Sub 4] (0{$\leq$}x{$\leq$}1) {{Cathode}} for {{Li Rechargeable Battery}}},
  author = {Kim, Sung-Wook and Kim, Jongsoon and Gwon, Hyeokjo and Kang, Kisuk},
  year = {2009},
  volume = {156},
  pages = {A635},
  issn = {00134651},
  doi = {10.1149/1.3138705},
  file = {/Users/shyue/Zotero/storage/TE7TMBKC/2009 - Kim et al. - Journal of The Electrochemical Society.pdf},
  journal = {Journal of The Electrochemical Society},
  number = {8}
}

@article{kimRapidFabricationThick2013,
  title = {Rapid Fabrication of Thick Spray-Layer-by-Layer Carbon Nanotube Electrodes for High Power and Energy Devices},
  author = {Kim, Sung Yeol and Hong, Jinkee and Kavian, Reza and Lee, Seung Woo and Hyder, Md Nasim and {Shao-Horn}, Yang and Hammond, Paula T.},
  year = {2013},
  issn = {1754-5692},
  doi = {10.1039/c2ee23318e},
  abstract = {Rapid fabrication of layer-by-layer (LbL) electrodes is essential to expand their utility in energy storage applications. Herein, we address challenges in developing thick LbL electrodes of multi-wall carbon nanotubes (MWNTs) using conventional dip- and spray-LbL processes, and present a solution to overcome these challenges. The vacuum-assisted spray-LbL process using porous carbon substrates enabled a linear growth of LbL-MWNT electrodes with a 600 time decrease in their fabrication time. This result was attributed to the enhanced surface interactions between MWNTs and substrate via increased surface areas, enhanced capillary forces, physical entrapment in pores, and changes in hydrodynamic drag forces. Scanning electron microscopy (SEM) revealed high surface area carbon nanotube networks comprised of individual MWNT's. The spray MWNT electrodes delivered a high gravimetric energy of 100 W h kg1 at high gravimetric power of 50 kW kg1, which is higher than those of most carbon nanotube electrodes reported. Moreover, the spray MWNT electrodes delivered the highest energy capacity per unit area (up to 300 mW h cm2 at 0.4 mW cm2 among the LbL electrodes reported, and showed excellent retention of energy capacity up to 100 mW h cm2 at high power capacity of 200 mW cm2. These performance values are higher or comparable to the most advanced battery electrodes for high energy capacity per unit area.},
  journal = {Energy \& Environmental Science}
}

@article{kimRbSiFMn2018,
  title = {Rb 3 {{SiF}} 7 :{{Mn}} 4+ and {{Rb}} 2 {{CsSiF}} 7 :{{Mn}} 4+ {{Red}}-{{Emitting Phosphors}} with a {{Faster Decay Rate}}},
  author = {Kim, Minseuk and Park, Woon Bae and Lee, Jin-Woong and Lee, Jinhee and Kim, Chang Hae and Singh, Satendra Pal and Sohn, Kee-Sun},
  year = {2018},
  month = oct,
  volume = {30},
  pages = {6936--6944},
  issn = {0897-4756},
  doi = {10.1021/acs.chemmater.8b03542},
  file = {/Users/shyue/Zotero/storage/YL58496V/2018 - Kim et al. - Chemistry of Materials(2).pdf},
  journal = {Chemistry of Materials},
  number = {19}
}

@article{kimRecentProgressMultimetal2018,
  title = {Recent {{Progress}} on {{Multimetal Oxide Catalysts}} for the {{Oxygen Evolution Reaction}}},
  author = {Kim, Ju Seong and Kim, Byunghoon and Kim, Hyunah and Kang, Kisuk},
  year = {2018},
  month = apr,
  volume = {8},
  pages = {1702774},
  issn = {16146832},
  doi = {10.1002/aenm.201702774},
  file = {/Users/shyue/Zotero/storage/2QVKU4KT/Kim et al. - 2018 - Recent Progress on Multimetal Oxide Catalysts for .pdf},
  journal = {Advanced Energy Materials},
  language = {en},
  number = {11}
}

@article{kimSecondNearestneighborModified2017,
  title = {Second Nearest-Neighbor Modified Embedded-Atom Method Interatomic Potentials for the {{Pt}}-{{M}} ({{M}}={{Al}}, {{Co}}, {{Cu}}, {{Mo}}, {{Ni}}, {{Ti}}, {{V}}) Binary Systems},
  author = {Kim, JIn-Soo and Seol, Donghyuk and Ji, Joonho and Jang, Hyo-Sun and Kim, Yongmin and Lee, Byeong-Joo},
  year = {2017},
  volume = {59},
  pages = {131--141},
  issn = {03645916},
  doi = {10.1016/j.calphad.2017.09.005},
  file = {/Users/shyue/Zotero/storage/26K8GWHF/2017 - Kim et al. - Calphad.pdf},
  journal = {Calphad},
  keywords = {2NN MEAM,interatomic potentials,Interatomic potentials,Pt alloys},
  number = {September}
}

@article{kimSelfassembledSinglephasePerovskite2010,
  title = {Self-Assembled Single-Phase Perovskite Nanocomposite Thin Films.},
  author = {Kim, Hyun-Suk and Bi, Lei and Paik, Hanjong and Yang, Dae-Jin and Park, Yun Chang and Dionne, Gerald F and a Ross, Caroline},
  year = {2010},
  month = feb,
  volume = {10},
  pages = {597--602},
  issn = {1530-6992},
  doi = {10.1021/nl903611t},
  abstract = {Thin films of perovskite-structured oxides with general formula ABO(3) have great potential in electronic devices because of their unique properties, which include the high dielectric constant of titanates, (1) high-T(C) superconductivity in cuprates, (2) and colossal magnetoresistance in manganites. (3) These properties are intimately dependent on, and can therefore be tailored by, the microstructure, orientation, and strain state of the film. Here, we demonstrate the growth of cubic Sr(Ti,Fe)O(3) (STF) films with an unusual self-assembled nanocomposite microstructure consisting of (100) and (110)-oriented crystals, both of which grow epitaxially with respect to the Si substrate and which are therefore homoepitaxial with each other. These structures differ from previously reported self-assembled oxide nanocomposites, which consist either of two different materials (4-7) or of single-phase distorted-cubic materials that exhibit two or more variants. (8-12) Moreover, an epitaxial nanocomposite SrTiO(3) overlayer can be grown on the STF, extending the range of compositions over which this microstructure can be formed. This offers the potential for the implementation of self-organized optical/ferromagnetic or ferromagnetic

license_type: permissive

branch_name: refs/heads/master

extension: bib