Publications

Found 293 results
Filters: Author is Gerbrand Ceder  [Clear All Filters]
2003
D. Morgan, Rodgers, J., and Ceder, G., Automatic construction, implementation and assessment of Pettifor maps, Journal of Physics-Condensed Matter, vol. 15, no. 25, pp. 4361 - 4369, 2003.
B. J. Hwang, Tsai, Y. W., Carlier, D., and Ceder, G., A combined computational/experimental study on LiNi1/3Co1/3Mn1/3O2, Chemistry of Materials, vol. 15, no. 19, pp. 3676 - 3682, 2003.
D. Morgan, Balachandran, D., and Ceder, G., A drastic influence of point defects on phase stability in MnO2, in Solid-State Chemistry of Inorganic Materials Iv, vol. 755, M. A. AlarioFranco, Greenblatt, M., Rohrer, G., and Whittingham, M. S. 2003, pp. 43 - 48.
D. Morgan, Ceder, G., Saidi, M. Y., Barker, J., Swoyer, J., Huang, H., and Adamson, G., Experimental and computational study of the structure and electrochemical properties of monoclinic LixM2(PO4)(3) compounds, Journal of Power Sources, vol. 119, pp. 755 - 759, 2003.
G. Ceder, Curtarolo, S., Morgan, D., and Rodgers, J. R., First principles calculated databases for the prediction of intermetallic structure., Abstracts of Papers of the American Chemical Society, vol. 226, pp. U303 - U303, 2003.
M. E. A. Y. de Dompablo and Ceder, G., First-principles calculations on LixNiO2: phase stability and monoclinic distortion, Journal of Power Sources, vol. 119, pp. 654 - 657, 2003.
D. Carlier, Van der Ven, A., Delmas, C., and Ceder, G., First-principles investigation of phase stability in the O-2-LiCoO2 system, Chemistry of Materials, vol. 15, no. 13, pp. 2651 - 2660, 2003.
D. Morgan, Wang, B., Ceder, G., and van de Walle, A., First-principles study of magnetism in spinel MnO2, Physical Review B, vol. 67, no. 13, 2003.
D. Balachandran, Morgan, D., Ceder, G., and van de Walle, A., First-principles study of the structure of stoichiometric and Mn-deficient MnO2, Journal of Solid State Chemistry, vol. 173, no. 2, pp. 462 - 475, 2003.
A. Van der Ven and Ceder, G., Impurity-induced van der Waals transition during decohesion, Physical Review B, vol. 67, no. 6, 2003.
D. Carlier, Van der Ven, A., Ceder, G., Croguennec, L., Menetrier, M., and Delmas, C., Lithium electrochemical deintercalation from O2-LiCoO2: Structural study and first principles calculations, in Solid State Ionics-2002, vol. 756, P. Knauth, Tarascon, J. M., Traversa, E., and Tuller, H. L. 2003, pp. 243 - 248.
S. Curtarolo, Morgan, D., Persson, K., Rodgers, J., and Ceder, G., Predicting crystal structures with data mining of quantum calculations, Physical Review Letters, vol. 91, no. 13, 2003.
G. Ceder, Prediction of crystal structure and phase stability with first principles methods., Abstracts of Papers of the American Chemical Society, vol. 225, pp. U518 - U519, 2003.
A. Seidel, Marianetti, C. A., Chou, F. C., Ceder, G., and Lee, P. A., S=1/2 chains and spin-Peierls transition in TiOCl, Physical Review B, vol. 67, no. 2, 2003.
K. Kang, Carlier, D., John, J., Arroyo, E. M., Ceder, G., Croguennec, L., and Delmas, C., Synthesis and electrochemical properties of layered Li0.9Ni0.45Ti0.55O2, Chemistry of Materials, vol. 15, no. 23, pp. 4503 - 4507, 2003.
D. Carlier, Menetrier, M., Grey, C. P., Delmas, C., and Ceder, G., Understanding the NMR shifts in paramagnetic transition metal oxides using density functional theory calculations, Physical Review B, vol. 67, no. 17, 2003.
E. J. Wu, Ceder, G., and van de Walle, A., Using bond-length-dependent transferable force constants to predict vibrational entropies in Au-Cu, Au-Pd, and Cu-Pd alloys, Physical Review B, vol. 67, no. 13, 2003.
2002
A. van de Walle, Asta, M., and Ceder, G., The Alloy Theoretic Automated Toolkit: A user guide, Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, vol. 26, no. 4, pp. 539 - 553, 2002.
A. van de Walle and Ceder, G., Automating first-principles phase diagram calculations, Journal of Phase Equilibria, vol. 23, no. 4, pp. 348 - 359, 2002.
J. Reed and Ceder, G., Charge, potential, and phase stability of layered Li(Ni0.5Mn0.5)O-2, Electrochemical and Solid State Letters, vol. 5, no. 7, pp. A145 - A148, 2002.

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