Publications

Found 293 results
Filters: Author is Gerbrand Ceder  [Clear All Filters]
2011
R. Sun, Chan, M. K. Y., Kang, S. Young, and Ceder, G., Intrinsic stoichiometry and oxygen-induced p-type conductivity of pyrite FeS2, Physical Review B, vol. 84, no. 3, 2011.
H. Zhou, Upreti, S., Chernova, N. A., Hautier, G., Ceder, G., and M. Whittingham, S., Iron and Manganese Pyrophosphates as Cathodes for Lithium-Ion Batteries, Chemistry of Materials, vol. 23, no. 2, pp. 293 - 300, 2011.
R. Malik, Zhou, F., and Ceder, G., Kinetics of non-equilibrium lithium incorporation in LiFePO4, Nature Materials, vol. 10, no. 8, pp. 587 - 590, 2011.
G. Hautier, Jain, A., Chen, H., Moore, C., Ong, S. Ping, and Ceder, G., Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations, Journal of Materials Chemistry, vol. 21, no. 43, pp. 17147 - 17153, 2011.
G. Hautier, Jain, A., Ong, S. Ping, Kang, B., Moore, C., Doe, R., and Ceder, G., Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations, Chemistry of Materials, vol. 23, no. 15, pp. 3495 - 3508, 2011.
Y. Wu, Chan, M. K. Y., and Ceder, G., Prediction of semiconductor band edge positions in aqueous environments from first principles, Physical Review B, vol. 83, no. 23, 2011.
G. Ceder, Hautier, G., Jain, A., and Ong, S. P., Recharging lithium battery research with first-principles methods, Mrs Bulletin, vol. 36, no. 3, pp. 185 - 191, 2011.
D. J. Bradwell, Osswald, S., Wei, W., Barriga, S. A., Ceder, G., and Sadoway, D. R., Recycling ZnTe, CdTe, and Other Compound Semiconductors by Ambipolar Electrolysis, Journal of the American Chemical Society, vol. 133, no. 49, pp. 19971 - 19975, 2011.
R. Armiento, Kozinsky, B., Fornari, M., and Ceder, G., Screening for high-performance piezoelectrics using high-throughput density functional theory, Physical Review B, vol. 84, no. 1, 2011.
J. Chul Kim, Moore, C. J., Kang, B., Hautier, G., Jain, A., and Ceder, G., Synthesis and Electrochemical Properties of Monoclinic LiMnBO3 as a Li Intercalation Material, Journal of the Electrochemical Society, vol. 158, no. 3, pp. A309 - A315, 2011.
S. Ping Ong, Chevrier, V. L., Hautier, G., Jain, A., Moore, C., Kim, S., Ma, X., and Ceder, G., Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials, Energy & Environmental Science, vol. 4, no. 9, pp. 3680 - 3688, 2011.
2010
A. Jain, Seyed-Reihani, S. - A., Fischer, C. C., Couling, D. J., Ceder, G., and Green, W. H., Ab initio screening of metal sorbents for elemental mercury capture in syngas streams, Chemical Engineering Science, vol. 65, no. 10, pp. 3025 - 3033, 2010.
A. Jain, Seyed-Reihani, S. - A., Fischer, C. C., Couling, D. J., Ceder, G., and Green, W. H., Ab initio screening of metal sorbents for elemental mercury capture in syngas streams (vol 65, pg 3025, 2010), Chemical Engineering Science, vol. 65, no. 18, pp. 5295 - 5295, 2010.
T. Mueller and Ceder, G., Ab initio study of the low-temperature phases of lithium imide, Physical Review B, vol. 82, no. 17, 2010.
Y. Jung Lee, Lee, Y., Oh, D., Chen, T., Ceder, G., and Belcher, A. M., Biologically Activated Noble Metal Alloys at the Nanoscale: For Lithium Ion Battery Anodes, Nano Letters, vol. 10, no. 7, pp. 2433 - 2440, 2010.
M. K. Y. Chan, Reed, J., Donadio, D., Mueller, T., Meng, Y. S., Galli, G., and Ceder, G., Cluster expansion and optimization of thermal conductivity in SiGe nanowires, Physical Review B, vol. 81, no. 17, 2010.
T. Mueller and Ceder, G., Effect of Particle Size on Hydrogen Release from Sodium Alanate Nanoparticles, Acs Nano, vol. 4, no. 10, pp. 5647 - 5656, 2010.
M. K. Y. Chan and Ceder, G., Efficient Band Gap Prediction for Solids, Physical Review Letters, vol. 105, no. 19, 2010.
B. Kang and Ceder, G., Electrochemical Performance of LiMnPO4 Synthesized with Off-Stoichiometry, Journal of the Electrochemical Society, vol. 157, no. 7, pp. A808 - A811, 2010.
L. Tang, Han, B., Persson, K., Friesen, C., He, T., Sieradzki, K., and Ceder, G., Electrochemical Stability of Nanometer-Scale Pt Particles in Acidic Environments, Journal of the American Chemical Society, vol. 132, no. 2, pp. 596 - 600, 2010.
T. Mueller and Ceder, G., Exact expressions for structure selection in cluster expansions, Physical Review B, vol. 82, no. 18, 2010.
G. Hautier, Fischer, C. C., Jain, A., Mueller, T., and Ceder, G., Finding Nature's Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory, Chemistry of Materials, vol. 22, no. 12, pp. 3762 - 3767, 2010.
F. Zhou and Ceder, G., First-principles determination of charge and orbital interactions in Fe3O4, Physical Review B, vol. 81, no. 20, 2010.
X. Ma, Kang, B., and Ceder, G., High Rate Micron-Sized Ordered LiNi0.5Mn1.5O4, Journal of the Electrochemical Society, vol. 157, no. 8, pp. A925 - A931, 2010.
V. L. Chevrier, Ong, S. P., Armiento, R., Chan, M. K. Y., and Ceder, G., Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds, Physical Review B, vol. 82, no. 7, 2010.

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