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

300 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
2022 Jun K, Sun Y, Xiao Y, Zeng Y, Kim R, Kim H, Miara LJ, Im D, Wang Y, Ceder G. Lithium superionic conductors with corner-sharing frameworks. Nature Materials. PMID 35361915 DOI: 10.1038/s41563-022-01222-4  0.452
2021 Szymanski NJ, Zeng Y, Huo H, Bartel CJ, Kim H, Ceder G. Toward autonomous design and synthesis of novel inorganic materials. Materials Horizons. 8: 2169-2198. PMID 34846423 DOI: 10.1039/d1mh00495f  0.4
2021 Ouyang B, Wang J, He T, Bartel CJ, Huo H, Wang Y, Lacivita V, Kim H, Ceder G. Synthetic accessibility and stability rules of NASICONs. Nature Communications. 12: 5752. PMID 34599170 DOI: 10.1038/s41467-021-26006-3  0.567
2020 Tian Y, Zeng G, Rutt A, Shi T, Kim H, Wang J, Koettgen J, Sun Y, Ouyang B, Chen T, Lun Z, Rong Z, Persson K, Ceder G. Promises and Challenges of Next-Generation "Beyond Li-ion" Batteries for Electric Vehicles and Grid Decarbonization. Chemical Reviews. PMID 33356176 DOI: 10.1021/acs.chemrev.0c00767  0.688
2020 Lun Z, Ouyang B, Kwon DH, Ha Y, Foley EE, Huang TY, Cai Z, Kim H, Balasubramanian M, Sun Y, Huang J, Tian Y, Kim H, McCloskey BD, Yang W, ... ... Ceder G, et al. Cation-disordered rocksalt-type high-entropy cathodes for Li-ion batteries. Nature Materials. PMID 33046857 DOI: 10.1038/s41563-020-00816-0  0.763
2020 Trahey L, Brushett FR, Balsara NP, Ceder G, Cheng L, Chiang YM, Hahn NT, Ingram BJ, Minteer SD, Moore JS, Mueller KT, Nazar LF, Persson KA, Siegel DJ, Xu K, et al. Energy storage emerging: A perspective from the Joint Center for Energy Storage Research. Proceedings of the National Academy of Sciences of the United States of America. PMID 32513683 DOI: 10.1073/Pnas.1821672117  0.364
2020 Bianchini M, Wang J, Clément RJ, Ouyang B, Xiao P, Kitchaev D, Shi T, Zhang Y, Wang Y, Kim H, Zhang M, Bai J, Wang F, Sun W, Ceder G. The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides. Nature Materials. PMID 32424371 DOI: 10.1038/S41563-020-0688-6  0.604
2020 Zhang W, Seo DH, Chen T, Wu L, Topsakal M, Zhu Y, Lu D, Ceder G, Wang F. Kinetic pathways of ionic transport in fast-charging lithium titanate. Science (New York, N.Y.). 367: 1030-1034. PMID 32108110 DOI: 10.1126/Science.Aax3520  0.394
2020 Shi T, Zhang Y, Tu Q, Wang Y, Scott MC, Ceder G. Characterization of mechanical degradation in an all-solid-state battery cathode Journal of Materials Chemistry. 8: 17399-17404. DOI: 10.1039/D0Ta06985J  0.343
2020 Miura A, Ito H, Bartel CJ, Sun W, Rosero-Navarro NC, Tadanaga K, Nakata H, Maeda K, Ceder G. Selective metathesis synthesis of MgCr2S4 by control of thermodynamic driving forces Materials Horizons. 7: 1310-1316. DOI: 10.1039/C9Mh01999E  0.323
2020 Xiao Y, Wang Y, Bo S, Kim JC, Miara LJ, Ceder G. Publisher Correction: Understanding interface stability in solid-state batteries Nature Reviews Materials. 1-1. DOI: 10.1038/S41578-020-0191-3  0.561
2020 Ji H, Wu J, Cai Z, Liu J, Kwon D, Kim H, Urban A, Papp JK, Foley E, Tian Y, Balasubramanian M, Kim H, Clément RJ, McCloskey BD, Yang W, ... Ceder G, et al. Ultrahigh power and energy density in partially ordered lithium-ion cathode materials Nature Energy. 5: 213-221. DOI: 10.1038/S41560-020-0573-1  0.416
2020 Ouyang B, Wang Y, Sun Y, Ceder G. Computational Investigation of Halogen-Substituted Na Argyrodites as Solid-State Superionic Conductors Chemistry of Materials. 32: 1896-1903. DOI: 10.1021/Acs.Chemmater.9B04541  0.6
2020 Bai J, Sun W, Zhao J, Wang D, Xiao P, Ko JYP, Huq A, Ceder G, Wang F. Kinetic Pathways Templated by Low-temperature Intermediates during Solid-state Synthesis of Layered Oxides Chemistry of Materials. DOI: 10.1021/Acs.Chemmater.0C02568  0.352
2020 Kim H, Kwon D, Kim JC, Ouyang B, Kim H, Yang J, Ceder G. Na+ redistribution by electrochemical Na+/K+ exchange in layered NaxNi2SbO6 Chemistry of Materials. 32: 4312-4323. DOI: 10.1021/Acs.Chemmater.0C01152  0.583
2020 Lun Z, Ouyang B, Cai Z, Clément RJ, Kwon D, Huang J, Papp JK, Balasubramanian M, Tian Y, McCloskey BD, Ji H, Kim H, Kitchaev DA, Ceder G. Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes Chem. 6: 153-168. DOI: 10.1016/J.Chempr.2019.10.001  0.717
2020 Shi T, Tu Q, Tian Y, Xiao Y, Miara LJ, Kononova O, Ceder G. All‐Solid‐State Batteries: High Active Material Loading in All‐Solid‐State Battery Electrode via Particle Size Optimization (Adv. Energy Mater. 1/2020) Advanced Energy Materials. 10: 2070004. DOI: 10.1002/Aenm.202070004  0.313
2020 Kim JC, Kwon D, Yang JH, Kim H, Bo S, Wu L, Kim H, Seo D, Shi T, Wang J, Zhu Y, Ceder G. Direct Observation of Alternating Octahedral and Prismatic Sodium Layers in O3-Type Transition Metal Oxides Advanced Energy Materials. 10: 2001151-2001151. DOI: 10.1002/Aenm.202001151  0.609
2020 Wang J, Wang Y, Seo D, Shi T, Chen S, Tian Y, Kim H, Ceder G. A High‐Energy NASICON‐Type Cathode Material for Na‐Ion Batteries Advanced Energy Materials. 10: 1903968-1903968. DOI: 10.1002/Aenm.201903968  0.433
2020 Ouyang B, Artrith N, Lun Z, Jadidi Z, Kitchaev DA, Ji H, Urban A, Ceder G. Effect of Fluorination on Lithium Transport and Short‐Range Order in Disordered‐Rocksalt‐Type Lithium‐Ion Battery Cathodes Advanced Energy Materials. 10: 1903240. DOI: 10.1002/Aenm.201903240  0.78
2019 Kononova O, Huo H, He T, Rong Z, Botari T, Sun W, Tshitoyan V, Ceder G. Text-mined dataset of inorganic materials synthesis recipes. Scientific Data. 6: 203. PMID 31615989 DOI: 10.1038/S41597-019-0224-1  0.322
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  0.339
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  0.358
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  0.798
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  0.763
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  0.384
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  0.337
2019 Lacivita V, Wang Y, Bo S, Ceder G. Ab initio investigation of the stability of electrolyte/electrode interfaces in all-solid-state Na batteries Journal of Materials Chemistry A. 7: 8144-8155. DOI: 10.1039/C8Ta10498K  0.591
2019 Xiao Y, Wang Y, Bo S, Kim JC, Miara LJ, Ceder G. Understanding interface stability in solid-state batteries Nature Reviews Materials. 5: 105-126. DOI: 10.1038/S41578-019-0157-5  0.612
2019 Xiao P, Shi T, Huang W, Ceder G. Understanding Surface Densified Phases in Ni-Rich Layered Compounds Acs Energy Letters. 4: 811-818. DOI: 10.1021/Acsenergylett.9B00122  0.362
2019 Bayliss RD, Key B, Sai Gautam G, Canepa P, Kwon BJ, Lapidus SH, Dogan F, Adil AA, Lipton AS, Baker PJ, Ceder G, Vaughey JT, Cabana J. Probing Mg Migration in Spinel Oxides Chemistry of Materials. 32: 663-670. DOI: 10.1021/Acs.Chemmater.9B02450  0.376
2019 Ji H, Kitchaev DA, Lun Z, Kim H, Foley E, Kwon D, Tian Y, Balasubramanian M, Bianchini M, Cai Z, Clément RJ, Kim JC, Ceder G. Computational Investigation and Experimental Realization of Disordered High-Capacity Li-Ion Cathodes Based on Ni Redox Chemistry of Materials. 31: 2431-2442. DOI: 10.1021/Acs.Chemmater.8B05096  0.425
2019 Xiao Y, Miara LJ, Wang Y, Ceder G. Computational Screening of Cathode Coatings for Solid-State Batteries Joule. 3: 1252-1275. DOI: 10.1016/J.Joule.2019.02.006  0.382
2019 Tian Y, Sun Y, Hannah DC, Xiao Y, Liu H, Chapman KW, Bo S, Ceder G. Reactivity-Guided Interface Design in Na Metal Solid-State Batteries Joule. 3: 1037-1050. DOI: 10.1016/J.Joule.2018.12.019  0.597
2018 Lacivita V, Westover AS, Kercher AK, Phillip N, Yang G, Veith GM, Ceder G, Dudney NJ. Resolving the amorphous structure of lithium phosphorus oxynitride (Lipon). Journal of the American Chemical Society. PMID 30036061 DOI: 10.1021/Jacs.8B05192  0.354
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  0.734
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  0.337
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  0.346
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  0.566
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  0.644
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  0.343
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  0.524
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  0.349
2018 Ceder G, Ong SP, Wang Y. Predictive modeling and design rules for solid electrolytes Mrs Bulletin. 43: 746-751. DOI: 10.1557/Mrs.2018.210  0.554
2018 Zhang Y, Kim S, Feng G, Wang Y, Liu L, Ceder G, Li X. The Interaction between Cu and Fe in P2-Type NaxTMO2Cathodes for Advanced Battery Performance Journal of the Electrochemical Society. 165: A1184-A1192. DOI: 10.1149/2.0171807Jes  0.398
2018 Kitchaev DA, Lun Z, Richards WD, Ji H, Clément RJ, Balasubramanian M, Kwon D, Dai K, Papp JK, Lei T, McCloskey BD, Yang W, Lee J, Ceder G. Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes Energy & Environmental Science. 11: 2159-2171. DOI: 10.1039/C8Ee00816G  0.349
2018 Shi T, Xiao P, Kwon D, Sai Gautam G, Chakarawet K, Kim H, Bo S, Ceder G. Shear-Assisted Formation of Cation-Disordered Rocksalt NaMO2 (M = Fe or Mn) Chemistry of Materials. 30: 8811-8821. DOI: 10.1021/Acs.Chemmater.8B03490  0.574
2018 Kim H, Seo D, Urban A, Lee J, Kwon D, Bo S, Shi T, Papp JK, McCloskey BD, Ceder G. Stoichiometric Layered Potassium Transition Metal Oxide for Rechargeable Potassium Batteries Chemistry of Materials. 30: 6532-6539. DOI: 10.1021/Acs.Chemmater.8B03228  0.579
2018 Lacivita V, Artrith N, Ceder G. Structural and Compositional Factors That Control the Li-Ion Conductivity in LiPON Electrolytes Chemistry of Materials. 30: 7077-7090. DOI: 10.1021/Acs.Chemmater.8B02812  0.754
2018 Yoon G, Moon S, Ceder G, Kang K. Deposition and Stripping Behavior of Lithium Metal in Electrochemical System: Continuum Mechanics Study Chemistry of Materials. 30: 6769-6776. DOI: 10.1021/Acs.Chemmater.8B02623  0.565
2018 Suzuki N, Richards WD, Wang Y, Miara LJ, Kim JC, Jung I, Tsujimura T, Ceder G. Synthesis and Electrochemical Properties of I4̅-Type Li1+2xZn1–xPS4 Solid Electrolyte Chemistry of Materials. 30: 2236-2244. DOI: 10.1021/Acs.Chemmater.7B03833  0.374
2018 Kazemiabnavi S, Malik R, Orvananos B, Abdellahi A, Ceder G, Thornton K. The effect of surface-bulk potential difference on the kinetics of intercalation in core-shell active cathode particles Journal of Power Sources. 382: 30-37. DOI: 10.1016/J.Jpowsour.2018.02.023  0.325
2018 Lun Z, Ouyang B, Kitchaev DA, Clément RJ, Papp JK, Balasubramanian M, Tian Y, Lei T, Shi T, McCloskey BD, Lee J, Ceder G. Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution Advanced Energy Materials. 9: 1802959. DOI: 10.1002/Aenm.201802959  0.595
2018 Kim H, Seo D, Bianchini M, Clément RJ, Kim H, Kim JC, Tian Y, Shi T, Yoon W, Ceder G. A New Strategy for High-Voltage Cathodes for K-Ion Batteries: Stoichiometric KVPO4 F Advanced Energy Materials. 8: 1801591. DOI: 10.1002/Aenm.201801591  0.349
2018 Hannah DC, Sai Gautam G, Canepa P, Ceder G. On the Balance of Intercalation and Conversion Reactions in Battery Cathodes Advanced Energy Materials. 8: 1800379. DOI: 10.1002/Aenm.201800379  0.697
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  0.753
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  0.804
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  0.397
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  0.599
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  0.393
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  0.354
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  0.79
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  0.811
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  0.343
2017 Vassilaras P, Dacek ST, Kim H, Fister TT, Kim S, Ceder G, Kim JC. Communication—O3-Type Layered Oxide with a Quaternary Transition Metal Composition for Na-Ion Battery Cathodes: NaTi0.25Fe0.25Co0.25Ni0.25O2 Journal of the Electrochemical Society. 164: A3484-A3486. DOI: 10.1149/2.0271714Jes  0.401
2017 Artrith N, Urban A, Ceder G. Efficient and accurate machine-learning interpolation of atomic energies in compositions with many species Physical Review B. 96. DOI: 10.1103/Physrevb.96.014112  0.722
2017 Tian Y, Shi T, Richards WD, Li J, Kim JC, Bo S, Ceder G. Compatibility issues between electrodes and electrolytes in solid-state batteries Energy & Environmental Science. 10: 1150-1166. DOI: 10.1039/C7Ee00534B  0.572
2017 Gibbs ZM, Ricci F, Li G, Zhu H, Persson K, Ceder G, Hautier G, Jain A, Snyder GJ. Effective mass and Fermi surface complexity factor from ab initio band structure calculations Npj Computational Materials. 3. DOI: 10.1038/s41524-017-0013-3  0.539
2017 Kim E, Huang K, Saunders A, McCallum A, Ceder G, Olivetti E. Materials Synthesis Insights from Scientific Literature via Text Extraction and Machine Learning Chemistry of Materials. 29: 9436-9444. DOI: 10.1021/Acs.Chemmater.7B03500  0.326
2017 Canepa P, Sai Gautam G, Broberg D, Bo S, Ceder G. Role of Point Defects in Spinel Mg Chalcogenide Conductors Chemistry of Materials. 29: 9657-9667. DOI: 10.1021/Acs.Chemmater.7B02909  0.753
2017 Sai Gautam G, Canepa P, Urban A, Bo S, Ceder G. Influence of Inversion on Mg Mobility and Electrochemistry in Spinels Chemistry of Materials. 29: 7918-7930. DOI: 10.1021/Acs.Chemmater.7B02820  0.763
2017 Wang Y, Richards WD, Bo S, Miara LJ, Ceder G. Computational Prediction and Evaluation of Solid-State Sodium Superionic Conductors Na7P3X11 (X = O, S, Se) Chemistry of Materials. 29: 7475-7482. DOI: 10.1021/Acs.Chemmater.7B02476  0.634
2017 Sun W, Holder A, Orvañanos B, Arca E, Zakutayev A, Lany S, Ceder G. Thermodynamic Routes to Novel Metastable Nitrogen-Rich Nitrides Chemistry of Materials. 29: 6936-6946. DOI: 10.1021/Acs.Chemmater.7B02399  0.366
2017 Twu N, Metzger M, Balasubramanian M, Marino C, Li X, Chen H, Gasteiger H, Ceder G. Understanding the Origins of Higher Capacities at Faster Rates in Lithium-Excess LixNi2–4x/3Sbx/3O2 Chemistry of Materials. 29: 2584-2593. DOI: 10.1021/Acs.Chemmater.6B04691  0.356
2017 Olivetti EA, Ceder G, Gaustad GG, Fu X. Lithium-Ion Battery Supply Chain Considerations: Analysis of Potential Bottlenecks in Critical Metals Joule. 1: 229-243. DOI: 10.1016/J.Joule.2017.08.019  0.364
2017 Bianchini M, Xiao P, Wang Y, Ceder G. Additional Sodium Insertion into Polyanionic Cathodes for Higher-Energy Na-Ion Batteries Advanced Energy Materials. 7: 1700514. DOI: 10.1002/Aenm.201700514  0.4
2017 Kim H, Kim JC, Bo S, Shi T, Kwon D, Ceder G. K-Ion Batteries Based on a P2-Type K0.6 CoO2 Cathode Advanced Energy Materials. 7: 1700098. DOI: 10.1002/Aenm.201700098  0.593
2017 Whittaker ML, Sun W, DeRocher KA, Jayaraman S, Ceder G, Joester D. Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC) Advanced Functional Materials. 28: 1704202. DOI: 10.1002/Adfm.201704202  0.356
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  0.745
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  0.546
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  0.419
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  0.71
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  0.428
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  0.376
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  0.643
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  0.811
2016 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. Erratum: Computational and experimental investigation of TmAgTe2 and: XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening (Journal of Materials Chemistry C (2015) 3 (10554-10565)) Journal of Materials Chemistry C. 4: 4331. DOI: 10.1039/C6Tc90077A  0.69
2016 Sai Gautam G, Sun X, Duffort V, Nazar LF, Ceder G. Impact of intermediate sites on bulk diffusion barriers: Mg intercalation in Mg2Mo3O8 Journal of Materials Chemistry A. 4: 17643-17648. DOI: 10.1039/C6Ta07804D  0.77
2016 Bo S, Wang Y, Ceder G. Structural and Na-ion conduction characteristics of Na3PSxSe4−x Journal of Materials Chemistry A. 4: 9044-9053. DOI: 10.1039/C6Ta03027K  0.581
2016 Moradi M, Kim JC, Qi J, Xu K, Li X, Ceder G, Belcher AM. A bio-facilitated synthetic route for nano-structured complex electrode materials Green Chemistry. 18: 2619-2624. DOI: 10.1039/C6Gc00273K  0.353
2016 Richards WD, Wang Y, Miara LJ, Kim JC, Ceder G. Design of Li1+2xZn1−xPS4, a new lithium ion conductor Energy & Environmental Science. 9: 3272-3278. DOI: 10.1039/C6Ee02094A  0.354
2016 Liu M, Jain A, Rong Z, Qu X, Canepa P, Malik R, Ceder G, Persson KA. Evaluation of sulfur spinel compounds for multivalent battery cathode applications Energy and Environmental Science. 9: 3201-3209. DOI: 10.1039/C6Ee01731B  0.717
2016 Abdellahi A, Akyildiz O, Malik R, Thornton K, Ceder G. The thermodynamic stability of intermediate solid solutions in LiFePO4 nanoparticles Journal of Materials Chemistry A. 4: 5436-5447. DOI: 10.1039/C5Ta10498J  0.307
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  0.7
2016 Li X, Wang Y, Wu D, Liu L, Bo SH, Ceder G. Jahn-Teller assisted Na diffusion for high performance Na ion batteries Chemistry of Materials. 28: 6575-6583. DOI: 10.1021/Acs.Chemmater.6B02440  0.632
2016 Sa N, Kinnibrugh TL, Wang H, Sai Gautam G, Chapman KW, Vaughey JT, Key B, Fister TT, Freeland JW, Proffit DL, Chupas PJ, Ceder G, Bareno JG, Bloom ID, Burrell AK. Structural Evolution of Reversible Mg Insertion into a Bilayer Structure of V2O5·nH2O Xerogel Material Chemistry of Materials. 28: 2962-2969. DOI: 10.1021/Acs.Chemmater.6B00026  0.328
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  0.618
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  0.407
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  0.613
2016 Urban A, Matts I, Abdellahi A, Ceder G. Computational Design and Preparation of Cation-Disordered Oxides for High-Energy-Density Li-Ion Batteries Advanced Energy Materials. 6: 1600488. DOI: 10.1002/Aenm.201600488  0.418
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  0.762
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  0.689
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  0.667
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  0.316
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  0.728
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  0.557
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  0.36
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  0.443
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  0.41
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  0.644
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  0.706
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  0.435
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  0.683
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  0.392
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  0.731
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  0.568
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  0.719
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  0.412
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  0.386
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  0.69
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  0.687
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  0.633
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  0.588
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  0.592
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  0.332
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  0.605
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  0.592
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  0.746
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  0.664
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  0.612
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  0.704
2014 Lei Y, Li X, Liu L, Ceder G. Synthesis and Stoichiometry of Different Layered Sodium Cobalt Oxides Chemistry of Materials. 26: 5288-5296. DOI: 10.1021/Cm5021788  0.353
2014 Mo Y, Ong SP, Ceder G. Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations Chemistry of Materials. 26: 5208-5214. DOI: 10.1021/Cm501563F  0.736
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  0.66
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  0.474
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  0.372
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  0.512
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  0.602
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  0.62
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  0.733
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  0.717
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  0.584
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  0.756
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  0.755
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  0.745
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  0.734
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  0.745
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  0.336
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  0.746
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  0.623
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  0.628
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  0.788
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  0.665
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  0.514
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  0.732
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  0.708
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  0.591
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  0.528
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  0.755
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  0.666
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  0.509
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  0.602
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: 19971-5. PMID 22035469 DOI: 10.1021/Ja208577J  0.326
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  0.428
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  0.621
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  0.733
2011 Chevrier VL, Ceder G. Challenges for Na-ion negative electrodes Journal of the Electrochemical Society. 158: A1011-A1014. DOI: 10.1149/1.3607983  0.326
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  0.668
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  0.716
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  0.74
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  0.382
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  0.496
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  0.494
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  0.608
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  0.766
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  0.754
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  0.538
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  0.763
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  0.682
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  0.596
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  0.665
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  0.633
2011 Hautier G, Jain A, Ong SP, Kang B, Moore C, Doe R, Ceder G. ChemInform Abstract: Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab initio Calculations. Cheminform. 42: no-no. DOI: 10.1002/chin.201137008  0.583
2010 Chan MK, Ceder G. Efficient band gap prediction for solids. Physical Review Letters. 105: 196403. PMID 21231189 DOI: 10.1103/Physrevlett.105.196403  0.522
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  0.361
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  0.616
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  0.602
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  0.673
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  0.473
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  0.591
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  0.621
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  0.538
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  0.614
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  0.725
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  0.308
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  0.567
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  0.63
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  0.739
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  0.33
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  0.347
2008 Wang CY, Meng YS, Ceder G, Li Y. Publisher’s Note: Electrochemical Properties of Nanostructured Al[sub 1−x]Cu[sub x] Alloys as Anode Materials for Rechargeable Lithium-Ion Batteries [J. Electrochem. Soc., 155, A615 (2008)] Journal of the Electrochemical Society. 155: S10. DOI: 10.1149/1.2978244  0.345
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  0.324
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  0.323
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  0.334
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  0.511
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  0.607
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  0.334
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  0.611
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  0.336
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  0.324
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  0.671
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  0.571
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  0.575
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  0.65
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  0.644
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  0.661
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. DOI: 10.1557/Mrs2006.224  0.723
2006 Hafner J, Wolverton C, Ceder G. Toward Computational Materials Design: The Impact of Density Functional Theory on Materials Research Mrs Bulletin. 31: 659-668. DOI: 10.1557/Mrs2006.174  0.514
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  0.76
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  0.597
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  0.644
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  0.773
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  0.674
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  0.665
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  0.645
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  0.533
2005 Ceder G, Kohan AF, Aydinol MK, Tepesch PD, Ven A. Thermodynamics of Oxides with Substitutional Disorder: A Microscopic Model and Evaluation of Important Energy Contributions Journal of the American Ceramic Society. 81: 517-525. DOI: 10.1111/J.1151-2916.1998.Tb02369.X  0.393
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  0.695
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  0.448
2005 Van Der Ven A, Ceder G. Vacancies in ordered and disordered binary alloys treated with the cluster expansion Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.054102  0.543
2005 Morgan D, Ceder G, Curtarolo S. High-throughput and data mining with ab initio methods Measurement Science and Technology. 16: 296-301. DOI: 10.1088/0957-0233/16/1/039  0.748
2005 Ariel N, Ceder G, Sadoway DR, Fitzgerald EA. Electrochemically controlled transport of lithium through ultrathin SiO 2 Journal of Applied Physics. 98. DOI: 10.1063/1.1989431  0.301
2005 Meng YS, Ceder G, Grey CP, Yoon WS, Jiang M, Bréger J, Shao-Horn Y. Cation ordering in layered O3 Li[Ni xLi 1/3-2x/3Mn 2/3-x/3]O 2 (0 ≤ x ≤ 1/2) compounds Chemistry of Materials. 17: 2386-2394. DOI: 10.1021/Cm047779M  0.51
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  0.502
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  0.747
2005 Curtarolo S, Morgan D, Ceder G. Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 29: 163-211. DOI: 10.1016/J.Calphad.2005.01.002  0.747
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  0.364
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  0.338
2004 Grey CP, Yoon W, Reed J, Ceder G. Electrochemical Activity of Li in the Transition-Metal Sites of O3 Li[Li[sub (1−2x)/3]Mn[sub (2−x)/3]Ni[sub x]]O[sub 2] Electrochemical and Solid-State Letters. 7: A290. DOI: 10.1149/1.1783113  0.544
2004 Meng YS, Wu YW, Hwang BJ, Li Y, Ceder G. Combining Ab initio computation with experiments for designing new electrode materials for advanced lithium batteries: LiNi 1/3Fe 1/6Co 1/6Mn 1/3O 2 Journal of the Electrochemical Society. 151. DOI: 10.1149/1.1765032  0.376
2004 Meng YS, Ceder G, Grey CP, Yoon WS, Shao-Horn Y. Understanding the crystal structure of layered LiNi 0.5Mn 0.5O 2 by electron diffraction and powder diffraction simulation Electrochemical and Solid-State Letters. 7. DOI: 10.1149/1.1718211  0.518
2004 Morgan D, Van der Ven A, Ceder G. Li Conductivity in LixMPO4 (M = Mn, Fe, Co, Ni) Olivine Materials Electrochemical and Solid-State Letters. 7: A30-A32. DOI: 10.1149/1.1633511  0.749
2004 Zhou F, Cococcioni M, Marianetti CA, Morgan D, Ceder G. First-principles prediction of redox potentials in transition-metal compounds with LDA + U Physical Review B - Condensed Matter and Materials Physics. 70: 1-8. DOI: 10.1103/Physrevb.70.235121  0.677
2004 Zhou F, Marianetti CA, Cococcioni M, Morgan D, Ceder G. Phase separation in LixFePO4 induced by correlation effects Physical Review B - Condensed Matter and Materials Physics. 69. DOI: 10.1103/Physrevb.69.201101  0.689
2004 Kang K, Chen CH, Hwang BJ, Ceder G. Synthesis, electrochemical properties, and phase stability of Li 2NiO2 with the Immm structure Chemistry of Materials. 16: 2685-2690. DOI: 10.1021/Cm049922H  0.601
2004 Zhou F, Kang K, Maxisch T, Ceder G, Morgan D. The electronic structure and band gap of LiFePO4 and LiMnPO4 Solid State Communications. 132: 181-186. DOI: 10.1016/J.Ssc.2004.07.055  0.734
2004 Han BC, Van Der Ven A, Morgan D, Ceder G. Electrochemical modeling of intercalation processes with phase field models Electrochimica Acta. 49: 4691-4699. DOI: 10.1016/J.Electacta.2004.05.024  0.779
2004 Zhou F, Cococcioni M, Kang K, Ceder G. The Li intercalation potential of LiMPO 4 and LiMSiO 4 olivines with M = Fe, Mn, Co, Ni Electrochemistry Communications. 6: 1144-1148. DOI: 10.1016/J.Elecom.2004.09.007  0.551
2004 Van Der Ven A, Ceder G. Ordering in Li x(Ni 0.5Mn 0.5)O 2 and its relation to charge capacity and electrochemical behavior in rechargeable lithium batteries Electrochemistry Communications. 6: 1045-1050. DOI: 10.1016/J.Elecom.2004.07.018  0.635
2004 Wang Y, Curtarolo S, Jiang C, Arroyave R, Wang T, Ceder G, Chen LQ, Liu ZK. Ab initio lattice stability in comparison with CALPHAD lattice stability Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 28: 79-90. DOI: 10.1016/J.Calphad.2004.05.002  0.602
2004 Van der Ven A, Ceder G. The thermodynamics of decohesion Acta Materialia. 52: 1223-1235. DOI: 10.1016/J.Actamat.2003.11.007  0.546
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 DOI: 10.1103/Physrevlett.91.135503  0.732
2003 Morgan D, Ceder G, Curtarolo S. Data Mining Approach to Ab-Initio Prediction of Crystal Structure Mrs Proceedings. 804. DOI: 10.1557/Proc-804-Jj9.25  0.737
2003 Morgan D, Wang B, Ceder G, van de Walle A. First-principles study of magnetism in spinelMnO2 Physical Review B. 67. DOI: 10.1103/Physrevb.67.134404  0.648
2003 Morgan D, Rodgers J, Ceder G. Automatic construction, implementation and assessment of Pettifor maps Journal of Physics: Condensed Matter. 15: 4361-4369. DOI: 10.1088/0953-8984/15/25/307  0.637
2003 Kang K, Carlier D, Reed J, Arroyo EM, Ceder G, Croguennec L, Delmas C. Synthesis and Electrochemical Properties of Layered Li0.9Ni0.45Ti0.55O2 Chemistry of Materials. 15: 4503-4507. DOI: 10.1021/Cm034455+  0.611
2003 Carlier D, Van der Ven A, Delmas C, Ceder G. First-principles investigation of phase stability in the O2-LiCoO2 system Chemistry of Materials. 15: 2651-2660. DOI: 10.1021/Cm030002T  0.575
2003 Arroyo y de Dompablo ME, Ceder G. On the Origin of the Monoclinic Distortion in LixNiO2 Chemistry of Materials. 15: 63-67. DOI: 10.1021/Cm020239+  0.423
2003 Morgan D, Ceder G, Saı̈di MY, Barker J, Swoyer J, Huang H, Adamson G. Experimental and computational study of the structure and electrochemical properties of monoclinic LixM2(PO4)3 compounds Journal of Power Sources. 119: 755-759. DOI: 10.1016/S0378-7753(03)00216-7  0.676
2003 Balachandran D, Morgan D, Ceder G, Van De Walle A. First-principles study of the structure of stoichiometric and Mn-deficient MnO2 Journal of Solid State Chemistry. 173: 462-475. DOI: 10.1016/S0022-4596(03)00023-9  0.768
2002 Curtarolo S, Ceder G. Dynamics of an inhomogeneously coarse grained multiscale system. Physical Review Letters. 88: 255504. PMID 12097096 DOI: 10.1103/Physrevlett.88.255504  0.555
2002 Morgan D, Balachandran D, Ceder G, van de Walle A. A Drastic Influence of Point Defects on Phase Stability in MnO2 Mrs Proceedings. 755. DOI: 10.1557/Proc-755-Dd2.8  0.678
2002 Curtarolo S, Ceder G. Dynamics and Thermodynamics of a system with multiple length scales Mrs Proceedings. 731. DOI: 10.1557/Proc-731-W4.4  0.505
2002 Van De Walle A, Ceder G. Automating first-principles phase diagram calculations Journal of Phase Equilibria. 23: 348-359. DOI: 10.1361/105497102770331596  0.637
2002 Van de Walle A, Ceder G. The effect of lattice vibrations on substitutional alloy thermodynamics Reviews of Modern Physics. 74: 11-45. DOI: 10.1103/Revmodphys.74.11  0.606
2002 Smithson H, Marianetti CA, Morgan D, Van der Ven A, Predith A, Ceder G. First-principles study of the stability and electronic structure of metal hydrides Physical Review B. 66. DOI: 10.1103/Physrevb.66.144107  0.665
2002 Van de Walle A, Asta M, Ceder G. The alloy theoretic automated toolkit: A user guide Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 26: 539-553. DOI: 10.1016/S0364-5916(02)80006-2  0.683
2002 Balachandran D, Morgan D, Ceder G. First Principles Study of H-insertion in MnO2 Journal of Solid State Chemistry. 166: 91-103. DOI: 10.1006/Jssc.2002.9564  0.659
2001 Reed J, Ceder G, Van Der Ven A. Layered-to-spinel phase transition in LixMnO2 Electrochemical and Solid-State Letters. 4: A78-A81. DOI: 10.1149/1.1368896  0.523
2001 Van der Ven A, Ceder G, Asta M, Tepesch PD. First-principles theory of ionic diffusion with nondilute carriers Physical Review B. 64. DOI: 10.1103/Physrevb.64.184307  0.555
2001 Marianetti CA, Morgan D, Ceder G. First-principles investigation of the cooperative Jahn-Teller effect for octahedrally coordinated transition-metal ions Physical Review B. 63. DOI: 10.1103/Physrevb.63.224304  0.644
2001 Van der Ven A, Ceder G. Lithium diffusion mechanisms in layered intercalation compounds Journal of Power Sources. 97: 529-531. DOI: 10.1016/S0378-7753(01)00638-3  0.57
2000 Van Der Ven A, Ceder G. Lithium diffusion in layered LixCoO2 Electrochemical and Solid-State Letters. 3: 301-304. DOI: 10.1149/1.1391130  0.54
2000 Kohan AF, Ceder G, Morgan D, Van de Walle CG. First-principles study of native point defects in ZnO Physical Review B. 61: 15019-15027. DOI: 10.1103/Physrevb.61.15019  0.656
2000 Ceder G, Van Der Ven A, Marianetti C, Morgan D. First-principles alloy theory in oxides Modelling and Simulation in Materials Science and Engineering. 8: 311-321. DOI: 10.1088/0965-0393/8/3/311  0.725
2000 Morgan D, Van De Walle A, Ceder G, Althoff JD, De Fontaine D. Vibrational thermodynamics: coupling of chemical order and size effects Modelling and Simulation in Materials Science and Engineering. 8: 295-309. DOI: 10.1088/0965-0393/8/3/310  0.732
2000 Van Der Ven A, Marianetti C, Morgan D, Ceder G. Phase transformations and volume changes in spinel LixMn2O4 Solid State Ionics. 135: 21-32. DOI: 10.1016/S0167-2738(00)00326-X  0.747
1999 Jang Y, Huang B, Wang H, Maskaly GR, Ceder G, Sadoway DR, Chiang Y, Liu H, Tamura H. Synthesis and characterization of LiAlyCo1−yO2 and LiAlyNi1−yO2 Journal of Power Sources. 81: 589-593. DOI: 10.1016/S0378-7753(99)00104-4  0.335
1999 Ceder G, Van Der Ven A. Phase diagrams of lithium transition metal oxides: investigations from first principles Electrochimica Acta. 45: 131-150. DOI: 10.1016/S0013-4686(99)00199-1  0.597
1998 Tepesch PD, Asta M, Ceder G. Computation of configurational entropy using Monte Carlo probabilities in cluster-variation method entropy expressions Modelling and Simulation in Materials Science and Engineering. 6: 787-797. DOI: 10.1088/0965-0393/6/6/009  0.511
1998 Ceder G, Chiang YM, Sadoway DR, Aydinol MK, Jang YI, Huang B. Identification of cathode materials for lithium batteries guided by first-principles calculations Nature. 392: 694-696. DOI: 10.1038/33647  0.423
1998 Kohan A, Tepesch P, Ceder G, Wolverton C. Computation of alloy phase diagrams at low temperatures Computational Materials Science. 9: 389-396. DOI: 10.1016/S0927-0256(97)00168-7  0.505
1997 Aydinol MK, Kohan AF, Ceder G, Cho K, Joannopoulos J. Ab initiostudy of lithium intercalation in metal oxides and metal dichalcogenides Physical Review B. 56: 1354-1365. DOI: 10.1103/Physrevb.56.1354  0.365
1996 Tepesch PD, Kohan AF, Garbulsky GD, Ceder G, Coley C, Stokes HT, Boyer LL, Mehl MJ, Burton BP, Cho K, Joannopoulos J. A Model to Compute Phase Diagrams in Oxides with Empirical or First-Principles Energy Methods and Application to the Solubility Limits in the CaO-MgO System Journal of the American Ceramic Society. 79: 2033-2040. DOI: 10.1111/J.1151-2916.1996.Tb08934.X  0.355
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 DOI: 10.1103/Physrevb.51.15808  0.439
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 DOI: 10.1103/Physrevb.48.726  0.52
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 DOI: 10.1103/Physrevb.48.6767  0.518
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 DOI: 10.1103/Physrevb.45.13105  0.421
1992 Wolverton C, Fontaine DD, Dreysse H, Ceder G. Electronic Structure of Substitutionally Disordered Alloys: Direct Configurational Averaging Mrs Proceedings. 278. DOI: 10.1557/Proc-278-307  0.51
1992 Fontaine Dd, Asta M, Ceder G, McCormack R, Tendeloo Gv. On the Asymmetric Next-Nearest-Neighbor Ising Model of Oxygen Ordering in YBa 2 Cu 3 O z Europhysics Letters (Epl). 19: 229-234. DOI: 10.1209/0295-5075/19/3/013  0.515
1992 de Fontaine D, Wolverton C, Asta M, Ceder G. Prediction of ordered superstructure phase equilibria Journal of Phase Equilibria. 13: 344-348. DOI: 10.1007/Bf02674979  0.618
1991 Asta M, Ceder G, de Fontaine D. Comment on "Nucleated and continuous ordering in Cu3Au" Physical Review Letters. 66: 1798. PMID 10043310  0.399
1991 Wolverton C, Ceder G, Fontaine DD, Dreyssé H. Ground State Searches in Fcc Intermetallics Mrs Proceedings. 253. DOI: 10.1557/Proc-253-243  0.52
1991 Ceder G, Asta M, de Fontaine M. Computation of the OI-OII-OIII phase diagram and local oxygen configurations for YBa2Cu3Oz with z between 6.5 and 7 Physica C: Superconductivity. 177: 106-114. DOI: 10.1016/0921-4534(91)90305-I  0.456
1991 Asta M, de Fontaine D, Ceder G, Salomons E, Kraitchman M. One- and two-dimensional oxygen ordering in YBa2Cu3Oz Journal of the Less Common Metals. 168: 39-51. DOI: 10.1016/0022-5088(91)90033-Z  0.545
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  0.523
1990 Dreyssé H, Ceder G, de Fontaine D, Wille LT. Determination of effective pair interactions and segregation behavior at alloy surfaces Vacuum. 41: 446-448. DOI: 10.1016/0042-207X(90)90384-B  0.304
1990 Fontaine Dd, Ceder G, Asta M. Thermodynamics of oxygen ordering in YBa2Cu3Oz Journal of the Less Common Metals. 108-123. DOI: 10.1016/0022-5088(90)90204-W  0.547
1989 Ceder G, Asta M, Fontaine Dd. Oxygen Ordering in Yba2cu3oz at Low Temperature Mrs Proceedings. 169. DOI: 10.1557/Proc-169-189  0.477
1989 Burmester CP, Mann ME, Ceder G, Wille LT, de Fontaine D. Monte Carlo simulation of oxygen ordering in YBa2Cu3Oz Physica C: Superconductivity and Its Applications. 162: 225-226. DOI: 10.1016/0921-4534(89)90999-4  0.311
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