Publications

Found 293 results
Filters: Author is Gerbrand Ceder  [Clear All Filters]
2006
G. Ceder, Morgan, D., Fischer, C., Tibbetts, K., and Curtarolo, S., Data-mining-driven quantum mechanics for the prediction of structure, Mrs Bulletin, vol. 31, no. 12, pp. 981 - 985, 2006.
S. - K. Hu, Chou, T. - C., Hwang, B. - J., and Ceder, G., Effect of Co content on performance of LiAl1/3-xCoxNi1/3Mn1/3O2 compounds for lithium-ion batteries, Journal of Power Sources, vol. 160, no. 2, pp. 1287 - 1293, 2006.
B. C. Han and Ceder, G., Effect of coadsorption and Ru alloying on the adsorption of CO on Pt, Physical Review B, vol. 74, no. 20, 2006.
J. Breger, Meng, Y. S., Hinuma, Y., Kumar, S., Kang, K., Shao-Horn, Y., Ceder, G., and Grey, C. P., Effect of high voltage on the structure and electrochemistry of LiNi0.5Mn0.5O2: A joint experimental and theoretical study, Chemistry of Materials, vol. 18, no. 20, pp. 4768 - 4781, 2006.
T. Mueller and Ceder, G., Effective interactions between the N-H bond orientations in lithium imide and a proposed ground-state structure, Physical Review B, vol. 74, no. 13, 2006.
T. Maxisch and Ceder, G., Elastic properties of olivine LixFePO4 from first principles, Physical Review B, vol. 73, no. 17, 2006.
K. S. Kang, Meng, Y. S., Breger, J., Grey, C. P., and Ceder, G., Electrodes with high power and high capacity for rechargeable lithium batteries, Science, vol. 311, no. 5763, pp. 977 - 980, 2006.
K. Kang and Ceder, G., Factors that affect Li mobility in layered lithium transition metal oxides, Physical Review B, vol. 74, no. 9, 2006.
A. Steentoft, Teige, B., Holmgren, R., Vuori, E., Kristinsson, J., Hansen, A. C., Ceder, G., Wethe, G., and Rollmann, D., Fatal poisoning in Nordic drug addicts in 2002, Forensic Science International, vol. 160, no. 2-3, pp. 148 - 156, 2006.
J. Breger, Kang, K., Chupas, P. J., Ceder, G., and Grey, C. P., INOR 993-Structural study of the Lix(NiMn)0.5O2 positive electrode material for Li-ion rechargeable batteries, Abstracts of Papers of the American Chemical Society, vol. 232, 2006.
H. Xia, Lu, L., and Ceder, G., Li diffusion in LiCoO2 thin films prepared by pulsed laser deposition, Journal of Power Sources, vol. 159, no. 2, pp. 1422 - 1427, 2006.
J. X. Zheng, Ceder, G., Maxisch, T., Chim, W. K., and Choi, W. K., Native point defects in yttria and relevance to its use as a high-dielectric-constant gate oxide material: First-principles study, Physical Review B, vol. 73, no. 10, 2006.
L. Wang, Maxisch, T., and Ceder, G., Oxidation energies of transition metal oxides within the GGA+U framework, Physical Review B, vol. 73, no. 19, 2006.
E. Levi, Lancry, E., Mitelman, A., Aurbach, D., Ceder, G., Morgan, D., and Isnard, O., Phase diagram of Mg insertion into chevrel phases, MgxMo6T8 (T = S, Se). 1. Crystal structure of the sulfides, Chemistry of Materials, vol. 18, no. 23, pp. 5492 - 5503, 2006.
A. Van der Ven, Morgan, D., Meng, Y. S., and Ceder, G., Phase stability of nickel hydroxides and oxyhydroxides, Journal of the Electrochemical Society, vol. 153, no. 2, pp. A210 - A215, 2006.
C. C. Fischer, Tibbetts, K. J., Morgan, D., and Ceder, G., Predicting crystal structure by merging data mining with quantum mechanics, Nature Materials, vol. 5, no. 8, pp. 641 - 646, 2006.
K. Persson, Ceder, G., and Morgan, D., Spin transitions in the FexMn1-xS2 system, Physical Review B, vol. 73, no. 11, 2006.
H. Xia, Lu, L., and Ceder, G., Substrate effect on the microstructure and electrochemical properties of LiCoO2 thin films grown by PLD, Journal of Alloys and Compounds, vol. 417, no. 1-2, pp. 304 - 310, 2006.
J. Hafner, Wolverton, C., and Ceder, G., Toward computational materials design: The impact of density functional theory on materials research, Mrs Bulletin, vol. 31, no. 9, pp. 659 - 665, 2006.
G. Grigoryan, Zhou, F., Lustig, S. R., Ceder, G., Morgan, D., and Keating, A. E., Ultra-fast evaluation of protein energies directly from sequence, Plos Computational Biology, vol. 2, no. 6, pp. 551 - 563, 2006.

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