Publications

Found 293 results
Filters: Author is Gerbrand Ceder  [Clear All Filters]
2005
N. Ariel, Ceder, G., Sadoway, D. R., and Fitzgerald, E. A., Electrochemically controlled transport of lithium through ultrathin SiO2, Journal of Applied Physics, vol. 98, no. 2, 2005.
M. Cococcioni, Mauri, F., Ceder, G., and Marzari, N., Electronic-enthalpy functional for finite systems under pressure, Physical Review Letters, vol. 94, no. 14, 2005.
A. Van der Ven and Ceder, G., First principles calculation of the interdiffusion coefficient in binary alloys, Physical Review Letters, vol. 94, no. 4, 2005.
M. E. A. Y. de Dompablo and Ceder, G., A first principles study of hydrogen storage in NaAlH4-related complex hydrides, Zeitschrift Fur Anorganische Und Allgemeine Chemie, vol. 631, no. 11, pp. 1982 - 1984, 2005.
J. Breger, Jiang, M., Dupre, N., Meng, Y. S., Shao-Horn, Y., Ceder, G., and Grey, C. P., High-resolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the Li2MnO3-Li[Ni1/2Mn1/2]O-2 solid solution, Journal of Solid State Chemistry, vol. 178, no. 9, pp. 2575 - 2585, 2005.
D. Morgan, Ceder, G., and Curtarolo, S., High-throughput and data mining with ab initio methods, Measurement Science & Technology, vol. 16, no. 1, pp. 296 - 301, 2005.
Y. W. Tsai, Hwang, B. J., Ceder, G., Sheu, H. S., Liu, D. G., and Lee, J. F., In-situ X-ray absorption spectroscopic study on variation of electronic transitions and local structure of LiNi1/3Co1/3Mn1/3O2 cathode material during electrochemical cycling, Chemistry of Materials, vol. 17, no. 12, pp. 3191 - 3199, 2005.
B. C. Han, Van der Ven, A., Ceder, G., and Hwang, B. J., Surface segregation and ordering of alloy surfaces in the presence of adsorbates, Physical Review B, vol. 72, no. 20, 2005.
M. Wagemaker, Van der Ven, A., Morgan, D., Ceder, G., Mulder, F. M., and Kearley, G. J., Thermodynamics of spinel LixTiO2 from first principles, Chemical Physics, vol. 317, no. 2-3, pp. 130 - 136, 2005.
A. Van der Ven and Ceder, G., Vacancies in ordered and disordered binary alloys treated with the cluster expansion, Physical Review B, vol. 71, no. 5, 2005.
2004
Y. Wang, Curtarolo, S., Jiang, C., Arroyave, R., Wang, T., Ceder, G., Chen, L. Q., and Liu, Z. K., Ab initio lattice stability in comparison with CALPHAD lattice stability, Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, vol. 28, no. 1, pp. 79 - 90, 2004.
Y. S. Meng, Wu, Y. W., Hwang, B. J., Li, Y., and Ceder, G., Combining ab initio computation with experiments for designing new electrode materials for advanced lithium batteries: LiNi1/3Fe1/6Co1/6Mn1/3O2, Journal of the Electrochemical Society, vol. 151, no. 8, pp. A1134 - A1140, 2004.
D. Morgan, Ceder, G., and Curtarolo, S., Data mining approach to ab-initio prediction of crystal structure, in Combinatorial and Artificial Intelligence Methods in Materials Science Ii, vol. 804, R. A. Potyrailo, Karim, A., Wang, Q., and Chikyow, T. 2004, pp. 343 - 348.
C. P. Grey, Yoon, W. S., Reed, J., and Ceder, G., Electrochemical activity of Li in the transition-metal sites of O3Li[Li(1-2x)/3Mn(2-x)/3Nix]O-2, Electrochemical and Solid State Letters, vol. 7, no. 9, pp. A290 - A293, 2004.
B. C. Han, Van der Ven, A., Morgan, D., and Ceder, G., Electrochemical modeling of intercalation processes with phase field models, Electrochimica Acta, vol. 49, no. 26, pp. 4691 - 4699, 2004.
F. Zhou, Kang, K. S., Maxisch, T., Ceder, G., and Morgan, D., The electronic structure and band gap of LiFePO4 and LiMnPO4, Solid State Communications, vol. 132, no. 3-4, pp. 181 - 186, 2004.
M. E. A. Y. de Dompablo and Ceder, G., First principles investigations of complex hydrides AMH(4) and A(3)MH(6) (A = Li, Na, K, M = B, Al, Ga) as hydrogen storage systems, Journal of Alloys and Compounds, vol. 364, no. 1-2, pp. 6 - 12, 2004.
C. A. Marianetti, Kotliar, G., and Ceder, G., A first-order Mott transition in LixCoO2, Nature Materials, vol. 3, no. 9, pp. 627 - 631, 2004.
F. Zhou, Cococcioni, M., Marianetti, C. A., Morgan, D., and Ceder, G., First-principles prediction of redox potentials in transition-metal compounds with LDA + U, Physical Review B, vol. 70, no. 23, 2004.
D. Morgan, Van der Ven, A., and Ceder, G., Li conductivity in LixMPO4 (M = Mn, Fe, Co, Ni) olivine materials, Electrochemical and Solid State Letters, vol. 7, no. 2, pp. A30 - A32, 2004.
F. Zhou, Cococcioni, M., Kang, K., and Ceder, G., The Li intercalation potential of LiMPO4 and LiMSiO4 olivines with M = Fe, Mn, Co, Ni, Electrochemistry Communications, vol. 6, no. 11, pp. 1144 - 1148, 2004.
W. S. Yoon, Iannopollo, S., Grey, C. P., Carlier, D., Gorman, J., Reed, J., and Ceder, G., Local structure and cation ordering in O3 lithium nickel manganese oxides with stoichiometry Li[NixMn(2-x)/3Li(1-2x)/3]O-2 - NMR studies and first principles calculations, Electrochemical and Solid State Letters, vol. 7, no. 7, pp. A167 - A171, 2004.
A. Van der Ven and Ceder, G., Ordering in Li-x(Ni0.5Mn0.5)O-2 and its relation to charge capacity and electrochemical behavior in rechargeable lithium batteries, Electrochemistry Communications, vol. 6, no. 10, pp. 1045 - 1050, 2004.
F. Zhou, Marianetti, C. A., Cococcioni, M., Morgan, D., and Ceder, G., Phase separation in LixFePO4 induced by correlation effects, Physical Review B, vol. 69, no. 20, 2004.
J. Reed and Ceder, G., Role of electronic structure in the susceptibility of metastable transition-metal oxide structures to transformation, Chemical Reviews, vol. 104, no. 10, pp. 4513 - 4533, 2004.

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