Gerbrand Ceder, PhD - Publications

Affiliations: 
1988-1991 Materials Science University of California, Berkeley, Berkeley, CA 
 1991-2015 Materials Science Massachusetts Institute of Technology, Cambridge, MA, United States 
 2015- Materials Science University of California, Berkeley, Berkeley, CA 
Area:
batteries, materials genome
Website:
http://ceder.berkeley.edu

257 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Weston L, Tshitoyan V, Dagdelen J, Kononova O, Trewartha A, Persson KA, Ceder G, Jain A. Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature. Journal of Chemical Information and Modeling. PMID 31361962 DOI: 10.1021/acs.jcim.9b00470  0.68
2019 Tshitoyan V, Dagdelen J, Weston L, Dunn A, Rong Z, Kononova O, Persson KA, Ceder G, Jain A. Unsupervised word embeddings capture latent knowledge from materials science literature. Nature. 571: 95-98. PMID 31270483 DOI: 10.1038/s41586-019-1335-8  0.72
2019 Bauers SR, Holder A, Sun W, Melamed CL, Woods-Robinson R, Mangum J, Perkins J, Tumas W, Gorman B, Tamboli A, Ceder G, Lany S, Zakutayev A. Ternary nitride semiconductors in the rocksalt crystal structure. Proceedings of the National Academy of Sciences of the United States of America. PMID 31270238 DOI: 10.1073/pnas.1904926116  0.6
2019 Sun W, Bartel CJ, Arca E, Bauers SR, Matthews B, Orvañanos B, Chen BR, Toney MF, Schelhas LT, Tumas W, Tate J, Zakutayev A, Lany S, Holder AM, Ceder G. A map of the inorganic ternary metal nitrides. Nature Materials. PMID 31209391 DOI: 10.1038/s41563-019-0396-2  0.6
2019 Chen T, Ceder G, Sai Gautam G, Canepa P. Evaluation of Mg Compounds as Coating Materials in Mg Batteries. Frontiers in Chemistry. 7: 24. PMID 30761292 DOI: 10.3389/fchem.2019.00024  0.84
2019 Ji H, Urban A, Kitchaev DA, Kwon DH, Artrith N, Ophus C, Huang W, Cai Z, Shi T, Kim JC, Kim H, Ceder G. Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries. Nature Communications. 10: 592. PMID 30723202 DOI: 10.1038/s41467-019-08490-w  0.84
2019 Hong J, Gent WE, Xiao P, Lim K, Seo DH, Wu J, Csernica PM, Takacs CJ, Nordlund D, Sun CJ, Stone KH, Passarello D, Yang W, Prendergast D, Ceder G, et al. Metal-oxygen decoordination stabilizes anion redox in Li-rich oxides. Nature Materials. PMID 30718861 DOI: 10.1038/s41563-018-0276-1  0.56
2019 Sun W, Kitchaev DA, Kramer D, Ceder G. Non-equilibrium crystallization pathways of manganese oxides in aqueous solution. Nature Communications. 10: 573. PMID 30718490 DOI: 10.1038/s41467-019-08494-6  0.6
2018 Artrith N, Urban A, Ceder G. Constructing first-principles phase diagrams of amorphous LiSi using machine-learning-assisted sampling with an evolutionary algorithm. The Journal of Chemical Physics. 148: 241711. PMID 29960321 DOI: 10.1063/1.5017661  0.72
2018 Chen BR, Sun W, Kitchaev DA, Mangum JS, Thampy V, Garten LM, Ginley DS, Gorman BP, Stone KH, Ceder G, Toney MF, Schelhas LT. Understanding crystallization pathways leading to manganese oxide polymorph formation. Nature Communications. 9: 2553. PMID 29959330 DOI: 10.1038/s41467-018-04917-y  0.6
2018 Morgan Chan Z, Kitchaev DA, Nelson Weker J, Schnedermann C, Lim K, Ceder G, Tumas W, Toney MF, Nocera DG. Electrochemical trapping of metastable Mn ions for activation of MnO oxygen evolution catalysts. Proceedings of the National Academy of Sciences of the United States of America. PMID 29784802 DOI: 10.1073/pnas.1722235115  0.32
2018 Hu X, Kitchaev DA, Wu L, Zhang B, Meng Q, Poyraz AS, Marschilok AC, Takeuchi ES, Takeuchi KJ, Ceder G, Zhu Y. Revealing and Rationalizing the Rich Polytypism of Todorokite MnO. Journal of the American Chemical Society. PMID 29733635 DOI: 10.1021/jacs.8b02971  0.6
2018 Lee J, Kitchaev DA, Kwon DH, Lee CW, Papp JK, Liu YS, Lun Z, Clément RJ, Shi T, McCloskey BD, Guo J, Balasubramanian M, Ceder G. Reversible Mn/Mn double redox in lithium-excess cathode materials. Nature. 556: 185-190. PMID 29643482 DOI: 10.1038/s41586-018-0015-4  0.84
2018 Arca E, Lany S, Perkins JD, Bartel CJ, Mangum J, Sun W, Holder A, Ceder G, Gorman B, Teeter G, Tumas W, Zakutayev A. Redox-Mediated Stabilization in Zinc Molybdenum Nitrides. Journal of the American Chemical Society. PMID 29494134 DOI: 10.1021/jacs.7b12861  0.6
2018 Zhang W, Yu HC, Wu L, Liu H, Abdellahi A, Qiu B, Bai J, Orvananos B, Strobridge FC, Zhou X, Liu Z, Ceder G, Zhu Y, Thornton K, Grey CP, et al. Localized concentration reversal of lithium during intercalation into nanoparticles. Science Advances. 4: eaao2608. PMID 29340302 DOI: 10.1126/sciadv.aao2608  0.88
2018 Zimmermann NER, Hannah DC, Rong Z, Liu M, Ceder G, Haranczyk M, Persson K. Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models. The Journal of Physical Chemistry Letters. PMID 29320200 DOI: 10.1021/acs.jpclett.7b03199  0.72
2017 Urban A, Abdellahi A, Dacek S, Artrith N, Ceder G. Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides. Physical Review Letters. 119: 176402. PMID 29219459 DOI: 10.1103/PhysRevLett.119.176402  0.8
2017 Canepa P, Bo SH, Sai Gautam G, Key B, Richards WD, Shi T, Tian Y, Wang Y, Li J, Ceder G. High magnesium mobility in ternary spinel chalcogenides. Nature Communications. 8: 1759. PMID 29170372 DOI: 10.1038/s41467-017-01772-1  0.92
2017 Haggerty JES, Schelhas LT, Kitchaev DA, Mangum JS, Garten LM, Sun W, Stone KH, Perkins JD, Toney MF, Ceder G, Ginley DS, Gorman BP, Tate J. High-fraction brookite films from amorphous precursors. Scientific Reports. 7: 15232. PMID 29123137 DOI: 10.1038/s41598-017-15364-y  0.6
2017 Lee J, Papp JK, Clément RJ, Sallis S, Kwon DH, Shi T, Yang W, McCloskey BD, Ceder G. Mitigating oxygen loss to improve the cycling performance of high capacity cation-disordered cathode materials. Nature Communications. 8: 981. PMID 29042560 DOI: 10.1038/s41467-017-01115-0  0.84
2017 Kim H, Seo DH, Kim JC, Bo SH, Liu L, Shi T, Ceder G. Investigation of Potassium Storage in Layered P3-Type K0.5 MnO2 Cathode. Advanced Materials (Deerfield Beach, Fla.). PMID 28782851 DOI: 10.1002/adma.201702480  0.92
2017 Rong Z, Xiao P, Liu M, Huang W, Hannah DC, Scullin W, Persson KA, Ceder G. Fast Mg(2+) diffusion in Mo3(PO4)3O for Mg batteries. Chemical Communications (Cambridge, England). PMID 28664208 DOI: 10.1039/c7cc02903a  0.72
2017 Faenza N, Lebens-Higgins ZW, Mukherjee P, Sallis S, Pereira N, Badway F, Halajko A, Ceder G, Cosandey F, Piper LFJ, Amatucci GG. Electrolyte Induced Surface Transformation and Transition Metal Dissolution of Fully Delithiated LiNi0.8Co0.15Al0.05O2. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28595010 DOI: 10.1021/acs.langmuir.7b00863  0.4
2017 Hannah DC, Sai Gautam G, Canepa P, Rong Z, Ceder G. Magnesium ion mobility in post-spinels accessible at ambient pressure. Chemical Communications (Cambridge, England). PMID 28439589 DOI: 10.1039/c7cc01092c  0.84
2017 Canepa P, Sai Gautam G, Hannah DC, Malik R, Liu M, Gallagher KG, Persson KA, Ceder G. Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges. Chemical Reviews. 117: 4287-4341. PMID 28269988 DOI: 10.1021/acs.chemrev.6b00614  0.84
2017 Kitchaev DA, Dacek ST, Sun W, Ceder G. Thermodynamics of phase selection in MnO2 framework structures through alkali intercalation and hydration. Journal of the American Chemical Society. PMID 28140575 DOI: 10.1021/jacs.6b11301  0.6
2016 Sun W, Dacek ST, Ong SP, Hautier G, Jain A, Richards WD, Gamst AC, Persson KA, Ceder G. The thermodynamic scale of inorganic crystalline metastability. Science Advances. 2: e1600225. PMID 28138514 DOI: 10.1126/sciadv.1600225  1
2016 Kitchaev DA, Ceder G. Evaluating structure selection in the hydrothermal growth of FeS2 pyrite and marcasite. Nature Communications. 7: 13799. PMID 27966547 DOI: 10.1038/ncomms13799  0.32
2016 de Jong M, Chen W, Notestine R, Persson K, Ceder G, Jain A, Asta M, Gamst A. A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds. Scientific Reports. 6: 34256. PMID 27694824 DOI: 10.1038/srep34256  1
2016 Miara L, Windmüller A, Tsai CL, Richards WD, Ma Q, Uhlenbruck S, Guillon O, Ceder G. About the compatibility between high voltage spinel cathode materials and solid oxide electrolytes as function of temperature. Acs Applied Materials & Interfaces. PMID 27642769 DOI: 10.1021/acsami.6b09059  0.84
2016 Rong Z, Kitchaev D, Canepa P, Huang W, Ceder G. An efficient algorithm for finding the minimum energy path for cation migration in ionic materials. The Journal of Chemical Physics. 145: 074112. PMID 27544092 DOI: 10.1063/1.4960790  0.84
2016 Seo DH, Lee J, Urban A, Malik R, Kang S, Ceder G. The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials. Nature Chemistry. 8: 692-7. PMID 27325096 DOI: 10.1038/nchem.2524  0.88
2016 Caskey CM, Holder A, Shulda S, Christensen ST, Diercks D, Schwartz CP, Biagioni D, Nordlund D, Kukliansky A, Natan A, Prendergast D, Orvananos B, Sun W, Zhang X, Ceder G, et al. Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures. The Journal of Chemical Physics. 144: 144201. PMID 27083713 DOI: 10.1063/1.4945561  1
2016 Richards WD, Tsujimura T, Miara LJ, Wang Y, Kim JC, Ong SP, Uechi I, Suzuki N, Ceder G. Design and synthesis of the superionic conductor Na10SnP2S12. Nature Communications. 7: 11009. PMID 26984102 DOI: 10.1038/ncomms11009  1
2016 Sai Gautam G, Canepa P, Richards WD, Malik R, Ceder G. Role of structural H2O in intercalation electrodes: the case of Mg in nano-crystalline Xerogel-V2O5. Nano Letters. PMID 26982964 DOI: 10.1021/acs.nanolett.5b05273  0.84
2016 Aydemir U, Pöhls JH, Zhu H, Hautier G, Bajaj S, Gibbs ZM, Chen W, Li G, Ohno S, Broberg D, Kang SD, Asta M, Ceder G, White MA, Persson K, et al. YCuTe2: A member of a new class of thermoelectric materials with CuTe4-based layered structure Journal of Materials Chemistry A. 4: 2461-2472. DOI: 10.1039/c5ta10330d  1
2016 Bo SH, Li X, Toumar AJ, Ceder G. Layered-to-Rock-Salt Transformation in Desodiated NaxCrO2 (x 0.4) Chemistry of Materials. 28: 1419-1429. DOI: 10.1021/acs.chemmater.5b04626  1
2016 Richards WD, Miara LJ, Wang Y, Kim JC, Ceder G. Interface Stability in Solid-State Batteries Chemistry of Materials. 28: 266-273. DOI: 10.1021/acs.chemmater.5b04082  1
2016 Bo SH, Wang Y, Kim JC, Richards WD, Ceder G. Computational and Experimental Investigations of Na-Ion Conduction in Cubic Na3PSe4 Chemistry of Materials. 28: 252-258. DOI: 10.1021/acs.chemmater.5b04013  1
2015 Wang Y, Richards WD, Ong SP, Miara LJ, Kim JC, Mo Y, Ceder G. Design principles for solid-state lithium superionic conductors. Nature Materials. PMID 26280225 DOI: 10.1038/nmat4369  1
2015 Gautam GS, Canepa P, Malik R, Liu M, Persson K, Ceder G. First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5. Chemical Communications (Cambridge, England). 51: 13619-22. PMID 26225908 DOI: 10.1039/c5cc04947d  1
2015 Kim JC, Li X, Kang B, Ceder G. High-rate performance of a mixed olivine cathode with off-stoichiometric composition. Chemical Communications (Cambridge, England). 51: 13279-82. PMID 26199196 DOI: 10.1039/c5cc04434k  1
2015 de Jong M, Chen W, Angsten T, Jain A, Notestine R, Gamst A, Sluiter M, Krishna Ande C, van der Zwaag S, Plata JJ, Toher C, Curtarolo S, Ceder G, Persson KA, Asta M. Charting the complete elastic properties of inorganic crystalline compounds. Scientific Data. 2: 150009. PMID 25984348 DOI: 10.1038/sdata.2015.9  0.96
2015 Sun W, Jayaraman S, Chen W, Persson KA, Ceder G. Nucleation of metastable aragonite CaCO3 in seawater. Proceedings of the National Academy of Sciences of the United States of America. 112: 3199-204. PMID 25739963 DOI: 10.1073/pnas.1423898112  1
2015 Jain A, Hautier G, Ong SP, Dacek S, Ceder G. Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study. Physical Chemistry Chemical Physics : Pccp. 17: 5942-53. PMID 25636088 DOI: 10.1039/c5cp00250h  1
2015 Gwon H, Kim SW, Park YU, Hong J, Ceder G, Jeon S, Kang K. Correction to Ion-exchange mechanism of layered transition-metal oxides: case study of LiNi0.5Mn0.5O2. Inorganic Chemistry. 54: 2081. PMID 25612210 DOI: 10.1021/ic5031069  0.92
2015 Twu N, Li X, Urban A, Balasubramanian M, Lee J, Liu L, Ceder G. Designing new lithium-excess cathode materials from percolation theory: nanohighways in Li(x)Ni(2-4x/3)Sb(x/3)O2. Nano Letters. 15: 596-602. PMID 25517087 DOI: 10.1021/nl5040754  0.92
2015 Orvananos B, Yu HC, Abdellahi A, Malik R, Grey CP, Ceder G, Thornton K. Kinetics of nanoparticle interactions in battery electrodes Journal of the Electrochemical Society. 162: A965-A973. DOI: 10.1149/2.0481506jes  1
2015 Orvananos B, Yu HC, Malik R, Abdellahi A, Grey CP, Ceder G, Thornton K. Effect of a size-dependent equilibrium potential on Nano-LiFePO4 particle interactions Journal of the Electrochemical Society. 162: A1718-A1724. DOI: 10.1149/2.0161509jes  1
2015 Seo DH, Urban A, Ceder G. Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/PhysRevB.92.115118  1
2015 Toumar AJ, Ong SP, Richards WD, Dacek S, Ceder G. Vacancy Ordering in O3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes Physical Review Applied. 4. DOI: 10.1103/PhysRevApplied.4.064002  1
2015 Sun W, Jayaraman S, Chen W, Persson KA, Ceder G. Correction: Nucleation of metastable aragonite CaCO3in seawater (Proceedings of the National Academy of Sciences of the United States of America (2015), 112:3199-3204 (DOI: 10.1073/pnas.1423898112)) Proceedings of the National Academy of Sciences of the United States of America. 112: E2735. DOI: 10.1073/pnas.1506100112  1
2015 Zhu H, Hautier G, Aydemir U, Gibbs ZM, Li G, Bajaj S, Pöhls JH, Broberg D, Chen W, Jain A, White MA, Asta M, Snyder GJ, Persson K, Ceder G. Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening Journal of Materials Chemistry C. 3: 10554-10565. DOI: 10.1039/c5tc01440a  1
2015 Miara LJ, Suzuki N, Richards WD, Wang Y, Kim JC, Ceder G. Li-ion conductivity in Li9S3N Journal of Materials Chemistry A. 3: 20338-20344. DOI: 10.1039/c5ta05432j  1
2015 Canepa P, Jayaraman S, Cheng L, Rajput NN, Richards WD, Gautam GS, Curtiss LA, Persson KA, Ceder G. Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries Energy and Environmental Science. 8: 3718-3730. DOI: 10.1039/c5ee02340h  0.6
2015 Lee J, Seo DH, Balasubramanian M, Twu N, Li X, Ceder G. A new class of high capacity cation-disordered oxides for rechargeable lithium batteries: Li-Ni-Ti-Mo oxides Energy and Environmental Science. 8: 3255-3265. DOI: 10.1039/c5ee02329g  1
2015 Kim JC, Seo DH, Ceder G. Theoretical capacity achieved in a LiMn0.5Fe0.4Mg0.1BO3 cathode by using topological disorder Energy and Environmental Science. 8: 1790-1798. DOI: 10.1039/c5ee00930h  1
2015 Liu M, Rong Z, Malik R, Canepa P, Jain A, Ceder G, Persson KA. Spinel compounds as multivalent battery cathodes: A systematic evaluation based on ab initio calculations Energy and Environmental Science. 8: 964-974. DOI: 10.1039/c4ee03389b  1
2015 Wu D, Li X, Xu B, Twu N, Liu L, Ceder G. NaTiO2: A layered anode material for sodium-ion batteries Energy and Environmental Science. 8: 195-202. DOI: 10.1039/c4ee03045a  1
2015 Twu N, Li X, Urban A, Balasubramanian M, Lee J, Liu L, Ceder G. Designing new lithium-excess cathode materials from percolation theory: Nanohighways in LixNi2-4 x /3Sbx/3O2 Nano Letters. 15: 596-602. DOI: 10.1021/nl5040754  1
2015 Rong Z, Malik R, Canepa P, Sai Gautam G, Liu M, Jain A, Persson K, Ceder G. Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures Chemistry of Materials. 27: 6016-6021. DOI: 10.1021/acs.chemmater.5b02342  1
2015 Matts IL, Dacek S, Pietrzak TK, Malik R, Ceder G. Explaining Performance-Limiting Mechanisms in Fluorophosphate Na-Ion Battery Cathodes through Inactive Transition-Metal Mixing and First-Principles Mobility Calculations Chemistry of Materials. 27: 6008-6015. DOI: 10.1021/acs.chemmater.5b02299  1
2015 Miara LJ, Richards WD, Wang YE, Ceder G. First-Principles Studies on Cation Dopants and Electrolyte|Cathode Interphases for Lithium Garnets Chemistry of Materials. 27: 4040-4047. DOI: 10.1021/acs.chemmater.5b01023  1
2015 Sai Gautam G, Canepa P, Abdellahi A, Urban A, Malik R, Ceder G. The intercalation phase diagram of Mg in V2O5 from first-principles Chemistry of Materials. 27: 3733-3742. DOI: 10.1021/acs.chemmater.5b00957  1
2015 Canepa P, Gautam GS, Malik R, Jayaraman S, Rong Z, Zavadil KR, Persson K, Ceder G. Understanding the initial stages of reversible Mg deposition and stripping in inorganic nonaqueous electrolytes Chemistry of Materials. 27: 3317-3325. DOI: 10.1021/acs.chemmater.5b00389  1
2015 Wang R, Li X, Liu L, Lee J, Seo DH, Bo SH, Urban A, Ceder G. A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: Li1.25Nb0.25Mn0.5O2 Electrochemistry Communications. 60: 70-73. DOI: 10.1016/j.elecom.2015.08.003  1
2015 Ong SP, Cholia S, Jain A, Brafman M, Gunter D, Ceder G, Persson KA. The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles Computational Materials Science. 97: 209-215. DOI: 10.1016/j.commatsci.2014.10.037  1
2015 Liu L, Li X, Bo SH, Wang Y, Chen H, Twu N, Wu D, Ceder G. High-Performance P2-Type Na2/3(Mn1/2Fe1/4Co1/4)O2 Cathode Material with Superior Rate Capability for Na-Ion Batteries Advanced Energy Materials. 5. DOI: 10.1002/aenm.201500944  1
2015 Kim JC, Seo DH, Chen H, Ceder G. The effect of antisite disorder and particle size on Li intercalation kinetics in monoclinic LiMnBO3 Advanced Energy Materials. 5. DOI: 10.1002/aenm.201401916  1
2015 Castelli IE, Hüser F, Pandey M, Li H, Thygesen KS, Seger B, Jain A, Persson KA, Ceder G, Jacobsen KW. New light-harvesting materials using accurate and efficient bandgap calculations Advanced Energy Materials. 5. DOI: 10.1002/aenm.201400915  1
2014 Gwon H, Kim SW, Park YU, Hong J, Ceder G, Jeon S, Kang K. Ion-exchange mechanism of layered transition-metal oxides: case study of LiNi(0.5)Mn(0.5)O₂. Inorganic Chemistry. 53: 8083-7. PMID 25033369 DOI: 10.1021/ic501069x  1
2014 Li X, Ma X, Su D, Liu L, Chisnell R, Ong SP, Chen H, Toumar A, Idrobo JC, Lei Y, Bai J, Wang F, Lynn JW, Lee YS, Ceder G. Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na5/8MnO2. Nature Materials. 13: 586-92. PMID 24836735 DOI: 10.1038/nmat3964  1
2014 Kang S, Mo Y, Ong SP, Ceder G. Nanoscale stabilization of sodium oxides: implications for Na-O2 batteries. Nano Letters. 14: 1016-20. PMID 24417743 DOI: 10.1021/nl404557w  1
2014 Lee J, Urban A, Li X, Su D, Hautier G, Ceder G. Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries. Science (New York, N.Y.). 343: 519-22. PMID 24407480 DOI: 10.1126/science.1246432  1
2014 Yoo HD, Shterenberg I, Gofer Y, Doe RE, Fischer CC, Ceder G, Aurbacha D. A magnesium-activated carbon hybrid capacitor Journal of the Electrochemical Society. 161: A410-A415. DOI: 10.1149/2.082403jes  0.72
2014 Lee J, Urban A, Li X, Su D, Hautier G, Ceder G. Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries Science. 343: 519-522. DOI: 10.1126/science.1246432  1
2014 Yang L, Dacek S, Ceder G. Proposed definition of crystal substructure and substructural similarity Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.054102  1
2014 Armiento R, Kozinsky B, Hautier G, Fornari M, Ceder G. High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.134103  1
2014 Zhu H, Sun W, Armiento R, Lazic P, Ceder G. Band structure engineering through orbital interaction for enhanced thermoelectric power factor Applied Physics Letters. 104. DOI: 10.1063/1.4866861  1
2014 Zeier WG, Zhu H, Gibbs ZM, Ceder G, Tremel W, Snyder GJ. Band convergence in the non-cubic chalcopyrite compounds Cu2MGeSe4 Journal of Materials Chemistry C. 2: 10189-10194. DOI: 10.1039/c4tc02218a  1
2014 Abdellahi A, Akyildiz O, Malik R, Thornton K, Ceder G. Particle-size and morphology dependence of the preferred interface orientation in LiFePO4 nano-particles Journal of Materials Chemistry A. 2: 15437-15447. DOI: 10.1039/c4ta02935f  1
2014 Kang S, Mo Y, Ong SP, Ceder G. Nanoscale stabilization of sodium oxides: Implications for Na-O2 batteries Nano Letters. 14: 1016-1020. DOI: 10.1021/nl404557w  1
2014 Kim JC, Li X, Moore CJ, Bo SH, Khalifah PG, Grey CP, Ceder G. Analysis of charged state stability for monoclinic LiMnBO3 Cathode Chemistry of Materials. 26: 4200-4206. DOI: 10.1021/cm5014174  1
2014 Orvananos B, Malik R, Yu HC, Abdellahi A, Grey CP, Ceder G, Thornton K. Architecture dependence on the dynamics of nano-liFePO4 electrodes Electrochimica Acta. 137: 245-257. DOI: 10.1016/j.electacta.2014.06.029  1
2014 Li X, Wu D, Zhou YN, Liu L, Yang XQ, Ceder G. O3-type Na(Mn0.25Fe0.25Co0.25Ni0.25)O2: A quaternary layered cathode compound for rechargeable Na ion batteries Electrochemistry Communications. 49: 51-54. DOI: 10.1016/j.elecom.2014.10.003  1
2014 Vassilaras P, Toumar AJ, Ceder G. Electrochemical properties of NaNi1/3Co1/3Fe 1/3O2 as a cathode material for Na-ion batteries Electrochemistry Communications. 38: 79-81. DOI: 10.1016/j.elecom.2013.11.015  1
2014 Urban A, Lee J, Ceder G. The configurational space of rocksalt-type oxides for high-capacity lithium battery electrodes Advanced Energy Materials. 4. DOI: 10.1002/aenm.201400478  1
2013 Ceder G, Persson K, Levitan D, Fessenden M, Greenemeier L, Billings L, Courage KH, Choi CQ, Yuhas D, Maron DF. World changing ideas. 10 ways science may jazz up our gadgets, help to solve our most intractable problems and save lives. Scientific American. 309: 34-49. PMID 24383363  0.64
2013 Lazić P, Armiento R, Herbert FW, Chakraborty R, Sun R, Chan MK, Hartman K, Buonassisi T, Yildiz B, Ceder G. Low intensity conduction states in FeS2: implications for absorption, open-circuit voltage and surface recombination. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 465801. PMID 24141033 DOI: 10.1088/0953-8984/25/46/465801  1
2013 Hautier G, Miglio A, Ceder G, Rignanese GM, Gonze X. Identification and design principles of low hole effective mass p-type transparent conducting oxides. Nature Communications. 4: 2292. PMID 23939205 DOI: 10.1038/ncomms3292  1
2013 Ma X, Hautier G, Jain A, Doe R, Ceder G. Improved capacity retention for LiVO2 by Cr substitution Journal of the Electrochemical Society. 160: A279-A284. DOI: 10.1149/2.046302jes  1
2013 Vassilaras P, Ma X, Li X, Ceder G. Electrochemical properties of monoclinic NaNiO2 Journal of the Electrochemical Society. 160: A207-A211. DOI: 10.1149/2.023302jes  1
2013 Twu N, Li X, Moore C, Ceder G. Synthesis and lithiation mechanisms of dirutile and rutile LiMnF 4: Two new conversion cathode materials Journal of the Electrochemical Society. 160: A1944-A1951. DOI: 10.1149/2.022311jes  1
2013 Matts I, Chen H, Ceder G. Electrochemical properties of li3fe0.2mn0.8co3po4 as a li-ion battery cathode Ecs Electrochemistry Letters. 2: A81-A83. DOI: 10.1149/2.009308eel  1
2013 Yang L, Ceder G. Data-mined similarity function between material compositions Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.224107  1
2013 Chevrier VL, Hautier G, Ong SP, Doe RE, Ceder G. First-principles study of iron oxyfluorides and lithiation of FeOF Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.094118  1
2013 Jain A, Ong SP, Hautier G, Chen W, Richards WD, Dacek S, Cholia S, Gunter D, Skinner D, Ceder G, Persson KA. Commentary: The materials project: A materials genome approach to accelerating materials innovation Apl Materials. 1. DOI: 10.1063/1.4812323  1
2013 Wu Y, Lazic P, Hautier G, Persson K, Ceder G. First principles high throughput screening of oxynitrides for water-splitting photocatalysts Energy and Environmental Science. 6: 157-168. DOI: 10.1039/c2ee23482c  1
2013 Ong SP, Mo Y, Richards WD, Miara L, Lee HS, Ceder G. Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors Energy and Environmental Science. 6: 148-156. DOI: 10.1039/c2ee23355j  1
2013 Ceder G, Persson K. The stuff of dreams Scientific American. 309: 36-40. DOI: 10.1038/scientificamerican1213-36  1
2013 Hautier G, Miglio A, Ceder G, Rignanese GM, Gonze X. Identification and design principles of low hole effective mass p-type transparent conducting oxides Nature Communications. 4. DOI: 10.1038/ncomms3292  1
2013 Wu Y, Ceder G. First principles study on Ta3N5:Ti3O 3N2 solid solution as a water-splitting photocatalyst Journal of Physical Chemistry C. 117: 24710-24715. DOI: 10.1021/jp407911g  1
2013 Kang S, Mo Y, Ong SP, Ceder G. A facile mechanism for recharging Li2O2 in Li-O 2 batteries Chemistry of Materials. 25: 3328-3336. DOI: 10.1021/cm401720n  1
2013 Miara LJ, Ong SP, Mo Y, Richards WD, Park Y, Lee JM, Lee HS, Ceder G. Effect of Rb and Ta doping on the ionic conductivity and stability of the garnet Li7+2x-y(La3-xRbx)(Zr 2-yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic conductor: A first principles investigation Chemistry of Materials. 25: 3048-3055. DOI: 10.1021/cm401232r  1
2013 Chen H, Hao Q, Zivkovic O, Hautier G, Du LS, Tang Y, Hu YY, Ma X, Grey CP, Ceder G. Sidorenkite (Na3MnPO4CO3): A new intercalation cathode material for Na-ion batteries Chemistry of Materials. 25: 2777-2786. DOI: 10.1021/cm400805q  1
2013 Hautier G, Jain A, Mueller T, Moore C, Ong SP, Ceder G. Designing multielectron lithium-ion phosphate cathodes by mixing transition Metals Chemistry of Materials. 25: 2064-2074. DOI: 10.1021/cm400199j  1
2013 Sun W, Ceder G. Efficient creation and convergence of surface slabs Surface Science. 617: 53-59. DOI: 10.1016/j.susc.2013.05.016  1
2013 Sun X, Xu Y, Ding P, Jia M, Ceder G. The composite rods of MnO and multi-walled carbon nanotubes as anode materials for lithium ion batteries Journal of Power Sources. 244: 690-694. DOI: 10.1016/j.jpowsour.2012.11.145  1
2013 Ong SP, Richards WD, Jain A, Hautier G, Kocher M, Cholia S, Gunter D, Chevrier VL, Persson KA, Ceder G. Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis Computational Materials Science. 68: 314-319. DOI: 10.1016/j.commatsci.2012.10.028  1
2012 Chen H, Hautier G, Ceder G. Synthesis, computed stability, and crystal structure of a new family of inorganic compounds: carbonophosphates. Journal of the American Chemical Society. 134: 19619-27. PMID 23083488 DOI: 10.1021/ja3040834  1
2012 Kim S, Ma X, Ong SP, Ceder G. A comparison of destabilization mechanisms of the layered Na(x)MO2 and Li(x)MO2 compounds upon alkali de-intercalation. Physical Chemistry Chemical Physics : Pccp. 14: 15571-8. PMID 23076452 DOI: 10.1039/c2cp43377j  1
2012 Qian D, Hinuma Y, Chen H, Du LS, Carroll KJ, Ceder G, Grey CP, Meng YS. Electronic spin transition in nanosize stoichiometric lithium cobalt oxide. Journal of the American Chemical Society. 134: 6096-9. PMID 22448963 DOI: 10.1021/ja300868e  1
2012 Jain A, Hautier G, Moore C, Kang B, Lee J, Chen H, Twu N, Ceder G. A computational investigation of Li 9M 3(P 2O 7) 3(PO 4) 2 (M V, Mo) as cathodes for Li ion batteries Journal of the Electrochemical Society. 159: A622-A633. DOI: 10.1149/2.080205jes  1
2012 Gunter D, Cholia S, Jain A, Kocher M, Persson K, Ramakrishnan L, Ong SP, Ceder G. Community accessible datastore of high-throughput calculations: Experiences from the materials project Proceedings - 2012 Sc Companion: High Performance Computing, Networking Storage and Analysis, Scc 2012. 1244-1251. DOI: 10.1109/SC.Companion.2012.150  1
2012 Persson KA, Waldwick B, Lazic P, Ceder G. Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.235438  1
2012 Hautier G, Ong SP, Jain A, Moore CJ, Ceder G. Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.155208  1
2012 Ong SP, Mo Y, Ceder G. Low hole polaron migration barrier in lithium peroxide Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.081105  1
2012 Florez JM, Ong SP, Onbaşli MC, Dionne GF, Vargas P, Ceder G, Ross CA. First-principles insights on the magnetism of cubic SrTi 1-xCo xO 3-δ Applied Physics Letters. 100. DOI: 10.1063/1.4729830  1
2012 Kim S, Ma X, Ong SP, Ceder G. A comparison of destabilization mechanisms of the layered Na xMO 2 and Li xMO 2 compounds upon alkali de-intercalation Physical Chemistry Chemical Physics. 14: 15571-15578. DOI: 10.1039/c2cp43377j  1
2012 Chen H, Hautier G, Ceder G. Synthesis, computed stability, and crystal structure of a new family of inorganic compounds: Carbonophosphates Journal of the American Chemical Society. 134: 19619-19627. DOI: 10.1021/ja3040834  1
2012 Mo Y, Ong SP, Ceder G. First principles study of the Li 10GeP 2S 12 lithium super ionic conductor material Chemistry of Materials. 24: 15-17. DOI: 10.1021/cm203303y  1
2012 Chen H, Hautier G, Jain A, Moore C, Kang B, Doe R, Wu L, Zhu Y, Tang Y, Ceder G. Carbonophosphates: A new family of cathode materials for Li-ion batteries identified computationally Chemistry of Materials. 24: 2009-2016. DOI: 10.1021/cm203243x  1
2012 Upreti S, Chernova NA, Xiao J, Miller JK, Yakubovich OV, Cabana J, Grey CP, Chevrier VL, Ceder G, Musfeldt JL, Whittingham MS. Crystal structure, physical properties, and electrochemistry of copper substituted LiFePO 4 single crystals Chemistry of Materials. 24: 166-173. DOI: 10.1021/cm2026619  1
2012 Kim SW, Seo DH, Ma X, Ceder G, Kang K. Electrode materials for rechargeable sodium-ion batteries: Potential alternatives to current lithium-ion batteries Advanced Energy Materials. 2: 710-721. DOI: 10.1002/aenm.201200026  1
2011 Malik R, Zhou F, Ceder G. Kinetics of non-equilibrium lithium incorporation in LiFePO4. Nature Materials. 10: 587-90. PMID 21765400 DOI: 10.1038/nmat3065  0.8
2011 Hautier G, Fischer C, Ehrlacher V, Jain A, Ceder G. Data mined ionic substitutions for the discovery of new compounds. Inorganic Chemistry. 50: 656-63. PMID 21142147 DOI: 10.1021/ic102031h  1
2011 Ceder G, Hautier G, Jain A, Ong SP. Recharging lithium battery research with first-principles methods Mrs Bulletin. 36: 185-191. DOI: 10.1557/mrs.2011.31  1
2011 Ma X, Chen H, Ceder G. Electrochemical properties of monoclinic NaMnO2 Journal of the Electrochemical Society. 158: A1307-A1312. DOI: 10.1149/2.035112jes  1
2011 Chevrier VL, Ceder G. Challenges for Na-ion negative electrodes Journal of the Electrochemical Society. 158: A1011-A1014. DOI: 10.1149/1.3607983  1
2011 Kim JC, Moore CJ, Kang B, Hautier G, Jain A, Ceder G. Synthesis and electrochemical properties of monoclinic LiMnBO3 as a Li intercalation material Journal of the Electrochemical Society. 158: A309-A315. DOI: 10.1149/1.3536532  1
2011 Sun R, Ceder G. Feasibility of band gap engineering of pyrite FeS 2 Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.245211  1
2011 Mo Y, Ong SP, Ceder G. First-principles study of the oxygen evolution reaction of lithium peroxide in the lithium-air battery Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.205446  1
2011 Jain A, Hautier G, Ong SP, Moore CJ, Fischer CC, Persson KA, Ceder G. Formation enthalpies by mixing GGA and GGA + U calculations Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.045115  1
2011 Sun R, Chan MKY, Kang S, Ceder G. Intrinsic stoichiometry and oxygen-induced p-type conductivity of pyrite FeS2 Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.035212  1
2011 Armiento R, Kozinsky B, Fornari M, Ceder G. Screening for high-performance piezoelectrics using high-throughput density functional theory Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.014103  1
2011 Sun R, Chan MKY, Ceder G. First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.235311  1
2011 Wu Y, Chan MKY, Ceder G. Prediction of semiconductor band edge positions in aqueous environments from first principles Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.235301  1
2011 Ong SP, Chevrier VL, Ceder G. Comparison of small polaron migration and phase separation in olivine LiMnPO4 and LiFePO4 using hybrid density functional theory Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.075112  1
2011 Hautier G, Jain A, Chen H, Moore C, Ong SP, Ceder G. Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations Journal of Materials Chemistry. 21: 17147-17153. DOI: 10.1039/c1jm12216a  1
2011 Ong SP, Chevrier VL, Hautier G, Jain A, Moore C, Kim S, Ma X, Ceder G. Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials Energy and Environmental Science. 4: 3680-3688. DOI: 10.1039/c1ee01782a  1
2011 Malik R, Zhou F, Ceder G. Kinetics of non-equilibrium lithium incorporation in LiFePO4 Nature Materials. 10: 587-590. DOI: 10.1038/nmat3065  1
2011 Bradwell DJ, Osswald S, Wei W, Barriga SA, Ceder G, Sadoway DR. Recycling ZnTe, CdTe, and other compound semiconductors by ambipolar electrolysis Journal of the American Chemical Society. 133: 19971-19975. DOI: 10.1021/ja208577j  1
2011 Hautier G, Fischer C, Ehrlacher V, Jain A, Ceder G. Data mined ionic substitutions for the discovery of new compounds Inorganic Chemistry. 50: 656-663. DOI: 10.1021/ic102031h  1
2011 Hautier G, Jain A, Ong SP, Kang B, Moore C, Doe R, Ceder G. Phosphates as lithium-ion battery cathodes: An evaluation based on high-throughput ab initio calculations Chemistry of Materials. 23: 3495-3508. DOI: 10.1021/cm200949v  1
2011 Mueller T, Hautier G, Jain A, Ceder G. Evaluation of tavorite-structured cathode materials for lithium-ion batteries using high-throughput computing Chemistry of Materials. 23: 3854-3862. DOI: 10.1021/cm200753g  1
2011 Ong SP, Andreussi O, Wu Y, Marzari N, Ceder G. Electrochemical windows of room-temperature ionic liquids from molecular dynamics and density functional theory calculations Chemistry of Materials. 23: 2979-2986. DOI: 10.1021/cm200679y  1
2011 Zhou H, Upreti S, Chernova NA, Hautier G, Ceder G, Whittingham MS. Iron and manganese pyrophosphates as cathodes for lithium-ion batteries Chemistry of Materials. 23: 293-300. DOI: 10.1021/cm102922q  1
2011 Jain A, Hautier G, Moore CJ, Ping Ong S, Fischer CC, Mueller T, Persson KA, Ceder G. A high-throughput infrastructure for density functional theory calculations Computational Materials Science. 50: 2295-2310. DOI: 10.1016/j.commatsci.2011.02.023  1
2011 Hautier G, Ceder G. High-throughput computational identification of new lithium-ion battery cathode materials Acs National Meeting Book of Abstracts 1
2010 Chan MK, Ceder G. Efficient band gap prediction for solids. Physical Review Letters. 105: 196403. PMID 21231189  0.96
2010 Mueller T, Ceder G. Effect of particle size on hydrogen release from sodium alanate nanoparticles Acs Nano. 4: 5647-5656. PMID 20849095 DOI: 10.1021/nn101224j  1
2010 Malik R, Burch D, Bazant M, Ceder G. Particle size dependence of the ionic diffusivity. Nano Letters. 10: 4123-7. PMID 20795627 DOI: 10.1021/nl1023595  0.8
2010 Lee YJ, Lee Y, Oh D, Chen T, Ceder G, Belcher AM. Biologically activated noble metal alloys at the nanoscale: for lithium ion battery anodes. Nano Letters. 10: 2433-40. PMID 20507150 DOI: 10.1021/nl1005993  1
2010 Tang L, Han B, Persson K, Friesen C, He T, Sieradzki K, Ceder G. Electrochemical stability of nanometer-scale Pt particles in acidic environments. Journal of the American Chemical Society. 132: 596-600. PMID 20017546 DOI: 10.1021/ja9071496  1
2010 Ma X, Kang B, Ceder G. High rate micron-sized ordered LiNi0.5Mn1.5O 4 Journal of the Electrochemical Society. 157: A925-A931. DOI: 10.1149/1.3439678  1
2010 Kang B, Ceder G. Electrochemical performance of LiMnPO4 synthesized with off-stoichiometry Journal of the Electrochemical Society. 157: A808-A811. DOI: 10.1149/1.3428454  1
2010 Chan MKY, Ceder G. Efficient band gap prediction for solids Physical Review Letters. 105. DOI: 10.1103/PhysRevLett.105.196403  1
2010 Mueller T, Ceder G. Exact expressions for structure selection in cluster expansions Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.184107  1
2010 Mueller T, Ceder G. Ab initio study of the low-temperature phases of lithium imide Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.174307  1
2010 Persson K, Hinuma Y, Meng YS, Van Der Ven A, Ceder G. Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.125416  1
2010 Chevrier VL, Ong SP, Armiento R, Chan MKY, Ceder G. Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.075122  1
2010 Zhou F, Ceder G. First-principles determination of charge and orbital interactions in Fe3O4 Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.205113  1
2010 Chan MKY, Reed J, Donadio D, Mueller T, Meng YS, Galli G, Ceder G. Cluster expansion and optimization of thermal conductivity in SiGe nanowires Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.174303  1
2010 Malik R, Burch D, Bazant M, Ceder G. Particle size dependence of the ionic diffusivity Nano Letters. 10: 4123-4127. DOI: 10.1021/nl1023595  1
2010 Persson K, Sethuraman VA, Hardwick LJ, Hinuma Y, Meng YS, Van Der Ven A, Srinivasan V, Kostecki R, Ceder G. Lithium diffusion in graphitic carbon Journal of Physical Chemistry Letters. 1: 1176-1180. DOI: 10.1021/jz100188d  1
2010 Hautier G, Fischer CC, Jain A, Mueller T, Ceder G. Finding natures missing ternary oxide compounds using machine learning and density functional theory Chemistry of Materials. 22: 3762-3767. DOI: 10.1021/cm100795d  1
2010 Van der Ven A, Yu HC, Ceder G, Thornton K. Vacancy mediated substitutional diffusion in binary crystalline solids Progress in Materials Science. 55: 61-105. DOI: 10.1016/j.pmatsci.2009.08.001  1
2010 Ong SP, Ceder G. Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory Electrochimica Acta. 55: 3804-3811. DOI: 10.1016/j.electacta.2010.01.091  1
2010 Ong SP, Jain A, Hautier G, Kang B, Ceder G. Thermal stabilities of delithiated olivine MPO4 (M = Fe, Mn) cathodes investigated using first principles calculations Electrochemistry Communications. 12: 427-430. DOI: 10.1016/j.elecom.2010.01.010  1
2010 Jain A, Seyed-Reihani SA, Fischer CC, Couling DJ, Ceder G, Green WH. Ab initio screening of metal sorbents for elemental mercury capture in syngas streams Chemical Engineering Science. 65: 3025-3033. DOI: 10.1016/j.ces.2010.01.024  1
2010 Bazant MZ, Bai P, Cogswell D, Pinson M, Ceder G, Thornton K. Phase transformation dynamics in lithium iron phosphate nanoparticles 10aiche - 2010 Aiche Annual Meeting, Conference Proceedings 0.8
2010 Ceder G. Opportunities and challenges for first-principles materials design and applications to Li battery materials Mrs Bulletin. 35: 693-701.  1
2009 Lee YJ, Yi H, Kim WJ, Kang K, Yun DS, Strano MS, Ceder G, Belcher AM. Fabricating genetically engineered high-power lithium-ion batteries using multiple virus genes. Science (New York, N.Y.). 324: 1051-5. PMID 19342549 DOI: 10.1126/science.1171541  1
2009 Kang B, Ceder G. Battery materials for ultrafast charging and discharging. Nature. 458: 190-3. PMID 19279634 DOI: 10.1038/nature07853  1
2009 Doe RE, Persson KA, Hautier G, Ceder G. First principles study of the Li-Bi-F phase diagram and bismuth fluoride conversion reactions with lithium Electrochemical and Solid-State Letters. 12: A125-A128. DOI: 10.1149/1.3117249  1
2009 Lee YS, Bertoni M, Chan MK, Ceder G, Buonassisi T. Earth abundant materials for high efficiency heterojunction thin film solar cells Conference Record of the Ieee Photovoltaic Specialists Conference. 002375-002377. DOI: 10.1109/PVSC.2009.5411314  1
2009 Mueller T, Ceder G. Bayesian approach to cluster expansions Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.024103  1
2009 Tibbetts K, Doe R, Ceder G. Polygonal model for layered inorganic nanotubes Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.014102  1
2009 Malik R, Zhou F, Ceder G. Phase diagram and electrochemical properties of mixed olivines from first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.214201  1
2009 Kang K, Morgan D, Ceder G. First principles study of Li diffusion in I-Li2 NiO2 structure Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.014305  1
2009 Kramer D, Ceder G. Tailoring the morphology of LiCoO2: A first principles study Chemistry of Materials. 21: 3799-3809. DOI: 10.1021/cm9008943  1
2009 Levi E, Gershinsky G, Aurbach D, Isnard O, Ceder G. New insight on the unusually high ionic mobility in chevrel phases Chemistry of Materials. 21: 1390-1399. DOI: 10.1021/cm900033v  1
2009 Ceder G, Kang B. Response to "unsupported claims of ultrafast charging of Li-ion batteries" Journal of Power Sources. 194: 1024-1028. DOI: 10.1016/j.jpowsour.2009.07.004  1
2009 Couling D, Prakash K, Jain A, Seyed-Reihani SA, Fischer C, Das U, Ceder G, Green WH. Computational methods for evaluating potential warm synthesis gas cleanup technologies 26th Annual International Pittsburgh Coal Conference 2009, Pcc 2009. 2: 1056-1070.  1
2008 Meng YS, Hinuma Y, Ceder G. An investigation of the sodium patterning in Na(x)CoO(2) (0.5 < or = x < or = 1) by density functional theory methods. The Journal of Chemical Physics. 128: 104708. PMID 18345920 DOI: 10.1063/1.2839292  1
2008 Burch D, Singh G, Ceder G, Bazant MZ. Phase-transformation wave dynamics in LiFePO4 Solid State Phenomena. 139: 95-100. DOI: 10.4028/3-908451-56-6.95  1
2008 Wang CY, Meng YS, Ceder G, Li Y. Electrochemical properties of nanostructured Al1-x Cu x alloys as anode materials for rechargeable lithium-ion batteries Journal of the Electrochemical Society. 155: A615-A622. DOI: 10.1149/1.2943215  1
2008 Sivakumar V, Ross CA, Yabuuchi N, Shao-Horn Y, Persson K, Ceder G. Electrochemical control of the magnetic moment of CrO2 Journal of the Electrochemical Society. 155: P83-P88. DOI: 10.1149/1.2936261  1
2008 Wang L, Zhou F, Ceder G. Ab initio study of the surface properties and nanoscale effects of LiMnPO4 Electrochemical and Solid-State Letters. 11: A94-A96. DOI: 10.1149/1.2901974  1
2008 Bi L, Taussig AR, Kim HS, Wang L, Dionne GF, Bono D, Persson K, Ceder G, Ross CA. Structural, magnetic, and optical properties of BiFeO3 and Bi2 FeMnO6 epitaxial thin films: An experimental and first-principles study Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.104106  1
2008 Hinuma Y, Meng YS, Ceder G. Temperature-concentration phase diagram of P2 -Nax CoO2 from first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.224111  1
2008 Predith A, Ceder G, Wolverton C, Persson K, Mueller T. Ab initio prediction of ordered ground-state structures in ZrO2 -Y2 O3 Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.144104  1
2008 Han BC, Miranda CR, Ceder G. Effect of particle size and surface structure on adsorption of O and OH on platinum nanoparticles: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.075410  1
2008 Doe RE, Persson KA, Meng YS, Ceder G. First-principles investigation of the Li-Fe-F phase diagram and equilibrium and nonequilibrium conversion reactions of iron fluorides with lithium Chemistry of Materials. 20: 5274-5283. DOI: 10.1021/cm801105p  1
2008 Ong SP, Wang L, Kang B, Ceder G. Li - Fe - P - O2 phase diagram from first principles calculations Chemistry of Materials. 20: 1798-1807. DOI: 10.1021/cm702327g  1
2008 Singh GK, Ceder G, Bazant MZ. Intercalation dynamics in rechargeable battery materials: General theory and phase-transformation waves in LiFePO4 Electrochimica Acta. 53: 7599-7613. DOI: 10.1016/j.electacta.2008.03.083  1
2008 Zheng JX, Ceder G, Chim WK. First-principles study on the concentrations of native point defects in high-dielectric-constant binary oxide materials Physica Status Solidi - Rapid Research Letters. 2: 227-229. DOI: 10.1002/pssr.200802152  1
2008 Jain A, Seyed-Reihani SA, Fischer C, Couling D, Ceder G, Green WH. Screening of sorbents for mercury capture using Ab initio computations Conference Proceedings - 2009 Aiche Spring National Meeting and 5th Global Congress On Process Safety 1
2008 Han B, Persson K, Ceder G. Ab initio prediction of platinum nanoparticle dissolution in an acid aqueous environment Acs National Meeting Book of Abstracts 1
2007 Miranda CR, Ceder G. Ab initio investigation of ammonia-borane complexes for hydrogen storage. The Journal of Chemical Physics. 126: 184703. PMID 17508820 DOI: 10.1063/1.2730785  1
2007 Xia H, Meng YS, Lu L, Ceder G. Electrochemical properties of nonstoichiometric LiNi0.5Mn 1.5 O4-δ thin-film electrodes prepared by pulsed laser deposition Journal of the Electrochemical Society. 154: A737-A743. DOI: 10.1149/1.2741157  1
2007 Xia H, Lu L, Meng YS, Ceder G. Phase transitions and high-voltage electrochemical behavior of LiCo O2 thin films grown by pulsed laser deposition Journal of the Electrochemical Society. 154: A337-A342. DOI: 10.1149/1.2509021  1
2007 Wang L, Zhou F, Meng YS, Ceder G. First-principles study of surface properties of LiFeP O4: Surface energy, structure, Wulff shape, and surface redox potential Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.165435  1
2007 Zheng JX, Ceder G, Maxisch T, Chim WK, Choi WK. First-principles study of native point defects in hafnia and zirconia Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.104112  1
2007 Bréger J, Kang K, Cabana J, Ceder G, Grey CP. NMR, PDF and RMC study of the positive electrode material Li(Ni 0.5Mn0.5)O2 synthesized by ion-exchange methods Journal of Materials Chemistry. 17: 3167-3174. DOI: 10.1039/b702745a  1
2007 Tibbetts K, Miranda CR, Meng YS, Ceder G. An ab initio study of lithium diffusion in titanium disulfide nanotubes Chemistry of Materials. 19: 5302-5308. DOI: 10.1021/cm0715242  1
2007 Gallardo-Amores JM, Biskup N, Amador U, Persson K, Ceder G, Morán E, Arroyo y De Dompablo ME. Computational and experimental investigation of the transformation of v 2O 5 under pressure Chemistry of Materials. 19: 5262-5271. DOI: 10.1021/cm071360p  1
2007 Hinuma Y, Meng YS, Kang K, Ceder G. Phase transitions in the LiNi0.5Mn0.5O2 system with temperature Chemistry of Materials. 19: 1790-1800. DOI: 10.1021/cm062903i  1
2007 Wang L, Maxisch T, Ceder G. A first-principles approach to studying the thermal stability of oxide cathode materials Chemistry of Materials. 19: 543-552. DOI: 10.1021/cm0620943  1
2007 Ma X, Kang K, Ceder G, Meng YS. Synthesis and electrochemical properties of layered LiNi2/3Sb1/3O2 Journal of Power Sources. 173: 550-555. DOI: 10.1016/j.jpowsour.2007.07.033  1
2006 Zhou F, Maxisch T, Ceder G. Configurational electronic entropy and the phase diagram of mixed-valence oxides: the case of LixFePO4. Physical Review Letters. 97: 155704. PMID 17155339 DOI: 10.1103/PhysRevLett.97.155704  1
2006 Fischer CC, Tibbetts KJ, Morgan D, Ceder G. Predicting crystal structure by merging data mining with quantum mechanics. Nature Materials. 5: 641-6. PMID 16845417 DOI: 10.1038/nmat1691  1
2006 Grigoryan G, Zhou F, Lustig SR, Ceder G, Morgan D, Keating AE. Ultra-fast evaluation of protein energies directly from sequence Plos Computational Biology. 2: 0551-0563. PMID 16789811 DOI: 10.1371/journal.pcbi.0020063  1
2006 Kang K, Meng YS, Bréger J, Grey CP, Ceder G. Electrodes with high power and high capacity for rechargeable lithium batteries. Science (New York, N.Y.). 311: 977-80. PMID 16484487 DOI: 10.1126/science.1122152  1
2006 Van Der Ven A, Morgan D, Meng YS, Ceder G. Phase stability of nickel hydroxides and oxyhydroxides Journal of the Electrochemical Society. 153: A210-A215. DOI: 10.1149/1.2138572  1
2006 Han BC, Ceder G. Effect of coadsorption and Ru alloying on the adsorption of CO on Pt Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.205418  1
2006 Mueller T, Ceder G. Effective interactions between the N-H bond orientations in lithium imide and a proposed ground-state structure Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.134104  1
2006 Kang K, Ceder G. Factors that affect Li mobility in layered lithium transition metal oxides Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.094105  1
2006 Wang L, Maxisch T, Ceder G. Oxidation energies of transition metal oxides within the GGA+U framework Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.195107  1
2006 Maxisch T, Ceder G. Elastic properties of olivine Lix FePO4 from first principles Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.174112  1
2006 Persson K, Ceder G, Morgan D. Spin transitions in the Fex Mn1-x S2 system Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.115201  1
2006 Maxisch T, Zhou F, Ceder G. Ab initio study of the migration of small polarons in olivine Lix FePO4 and their association with lithium ions and vacancies Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.104301  1
2006 Zheng JX, Ceder G, Maxisch T, Chim WK, Choi WK. Native point defects in yttria and relevance to its use as a high-dielectric-constant gate oxide material: First-principles study Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.104101  1
2006 Persson K, Bengtson A, Ceder G, Morgan D. Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg1-x,Fex)O system Geophysical Research Letters. 33. DOI: 10.1029/2006GL026621  1
2006 Levi E, Lancry E, Mitelman A, Aurbach D, Ceder G, Morgan D, Isnard O. Phase diagram of Mg insertion into chevrel phases, Mg xMo 6T 8 (T = S, Se). 1. Crystal structure of the sulfides Chemistry of Materials. 18: 5492-5503. DOI: 10.1021/cm061656f  1
2006 Bréger J, Meng YS, Hinuma Y, Kumar S, Kang K, Shao-Horn Y, Ceder G, Grey CP. Effect of high voltage on the structure and electrochemistry of LiNi 0.5Mn 0.5O 2: A joint experimental and theoretical study Chemistry of Materials. 18: 4768-4781. DOI: 10.1021/cm060886r  1
2006 Hu SK, Chou TC, Hwang BJ, Ceder G. Effect of Co content on performance of LiAl1/3-xCoxNi1/3Mn1/3O2 compounds for lithium-ion batteries Journal of Power Sources. 160: 1287-1293. DOI: 10.1016/j.jpowsour.2006.02.005  1
2006 Xia H, Lu L, Ceder G. Li diffusion in LiCoO2 thin films prepared by pulsed laser deposition Journal of Power Sources. 159: 1422-1427. DOI: 10.1016/j.jpowsour.2005.12.012  1
2006 Xia H, Lu L, Ceder G. Substrate effect on the microstructure and electrochemical properties of LiCoO2 thin films grown by PLD Journal of Alloys and Compounds. 417: 304-310. DOI: 10.1016/j.jallcom.2005.09.065  1
2006 Ceder G, Morgan D, Fischer C, Tibbetts K, Curtarolo S. Data-mining-driven quantum mechanics for the prediction of structure Mrs Bulletin. 31: 981-985.  1
2005 Mueller T, Ceder G. A density functional theory study of hydrogen adsorption in MOF-5. The Journal of Physical Chemistry. B. 109: 17974-83. PMID 16853307 DOI: 10.1021/jp051202q  1
2005 Blangero M, Decourt R, Carlier D, Ceder G, Pollet M, Doumerc JP, Darriet J, Delmas C. First experimental evidence of potassium ordering in layered k4co7o14. Inorganic Chemistry. 44: 9299-304. PMID 16323913 DOI: 10.1021/ic0514804  1
2005 Zhou F, Grigoryan G, Lustig SR, Keating AE, Ceder G, Morgan D. Coarse-graining protein energetics in sequence variables Physical Review Letters. 95. PMID 16241695 DOI: 10.1103/PhysRevLett.95.148103  1
2005 Cococcioni M, Mauri F, Ceder G, Marzari N. Electronic-enthalpy functional for finite systems under pressure. Physical Review Letters. 94: 145501. PMID 15904072 DOI: 10.1103/PhysRevLett.94.145501  1
2005 Van der Ven A, Ceder G. First principles calculation of the interdiffusion coefficient in binary alloys. Physical Review Letters. 94: 045901. PMID 15783573 DOI: 10.1103/PhysRevLett.94.045901  1
2005 Han BC, Van Der Ven A, Ceder G, Hwang BJ. Surface segregation and ordering of alloy surfaces in the presence of adsorbates Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.205409  1
2005 Meng YS, Van Der Ven A, Chan MKY, Ceder G. Ab initio study of sodium ordering in Na0.75CoO2 and its relation to Co3+Co4+ charge ordering Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.172103  1
2005 Bréger J, Jiang M, Dupré N, Meng YS, Shao-Horn Y, Ceder G, Grey CP. High-resolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the Li 2MnO 3-Li[Ni 1/2Mn 1/2]O 2 solid solution Journal of Solid State Chemistry. 178: 2575-2585. DOI: 10.1016/j.jssc.2005.05.027  1
2005 Wagemaker M, Van Der Ven A, Morgan D, Ceder G, Mulder FM, Kearley GJ. Thermodynamics of spinel LixTiO2 from first principles Chemical Physics. 317: 130-136. DOI: 10.1016/j.chemphys.2005.05.011  1
2005 Arroyo Y De Dompablo ME, Ceder G. A first principles study of hydrogen storage in NaAlH4-related complex hydrides Zeitschrift Fur Anorganische Und Allgemeine Chemie. 631: 1982-1984. DOI: 10.1002/zaac.200570002  1
2004 Reed J, Ceder G. Role of electronic structure in the susceptibility of metastable transition-metal oxide structures to transformation. Chemical Reviews. 104: 4513-33. PMID 15669161  0.6
2004 Marianetti CA, Kotliar G, Ceder G. A first-order Mott transition in LixCoO2. Nature Materials. 3: 627-31. PMID 15322532 DOI: 10.1038/nmat1178  1
2004 Marianetti CA, Kotliar G, Ceder G. Role of hybridization in NaxCoO2 and the effect of hydration. Physical Review Letters. 92: 196405. PMID 15169427 DOI: 10.1103/PhysRevLett.92.196405  1
2004 Carlier D, Croguennec L, Ceder G, Ménétrier M, Shao-Horn Y, Delmas C. Structural study of the T#2-LixCoO2 (0.52 < x < or = 0.72) phase. Inorganic Chemistry. 43: 914-22. PMID 14753811 DOI: 10.1021/ic026285t  0.56
2003 Curtarolo S, Morgan D, Persson K, Rodgers J, Ceder G. Predicting crystal structures with data mining of quantum calculations. Physical Review Letters. 91: 135503. PMID 14525315  0.96
2002 Curtarolo S, Ceder G. Dynamics of an inhomogeneously coarse grained multiscale system. Physical Review Letters. 88: 255504. PMID 12097096  0.96
1996 Garbulsky GD, Ceder G. Contribution of the vibrational free energy to phase stability in substitutional alloys: Methods and trends. Physical Review. B, Condensed Matter. 53: 8993-9001. PMID 9982401  0.01
1995 McCormack R, de Fontaine D, Wolverton C, Ceder G. Nonempirical phase equilibria in the W-Mo-Cr system. Physical Review. B, Condensed Matter. 51: 15808-15822. PMID 9978557  0.76
1993 Wolverton C, Ceder G, de Fontaine D, Dreyssé H. Ab initio determination of structural stability in fcc-based transition-metal alloys. Physical Review. B, Condensed Matter. 48: 726-747. PMID 10007929  0.76
1993 McCormack R, Asta M, de Fontaine D, Garbulsky G, Ceder G. hcp Ising model in the cluster-variation approximation. Physical Review. B, Condensed Matter. 48: 6767-6780. PMID 10006839  0.76
1992 Wolverton C, Ceder G, de Fontaine D, Dreyssé H. Ab initio ground-state study with fourth-nearest-neighbor cluster interactions for fcc Pd-V alloys. Physical Review. B, Condensed Matter. 45: 13105-13108. PMID 10001385  0.76
1992 McCormack R, de Fontaine D, Ceder G. Oxygen configurations and their effect on charge transfer in off-stoichiometric YBa2Cu3Oz. Physical Review. B, Condensed Matter. 45: 12976-12987. PMID 10001363  0.76
1991 Asta M, Ceder G, de Fontaine D. Comment on "Nucleated and continuous ordering in Cu3Au" Physical Review Letters. 66: 1798. PMID 10043310  0.76
1991 Ceder G, McCormack R, de Fontaine D. Time-dependent oxygen ordering and its effect on Tc in off-stoichiometric YBa2Cu3Oz. Physical Review. B, Condensed Matter. 44: 2377-2380. PMID 9999796  0.76
1990 Ceder G, Asta M, Carter WC, Kraitchman M, de Fontaine D, Mann ME, Sluiter M. Phase diagram and low-temperature behavior of oxygen ordering in YBa2Cu3Oz using ab initio interactions. Physical Review. B, Condensed Matter. 41: 8698-8701. PMID 9993207 DOI: 10.1103/PhysRevB.41.8698  1
1989 de Fontaine D, Mann ME, Ceder G. States of partial order in YBa2Cu3Oz. Physical Review Letters. 63: 1300-1303. PMID 10040527 DOI: 10.1103/PhysRevLett.63.1300  1
1989 Ceder G, De Graef M, Delaey L, Kulik J, de Fontaine D. Gorsky-Bragg-Williams approach to the study of long-period superlattice phases in binary alloys. Physical Review. B, Condensed Matter. 39: 381-385. PMID 9947165  0.76
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