Publications

Found 293 results
Filters: Author is Gerbrand Ceder  [Clear All Filters]
1998
E. J. Wu, Tepesch, P. D., and Ceder, G., Size and charge effects on the structural stability of LiMO2 (M = transition metal) compounds, Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties, vol. 77, no. 4, pp. 1039 - 1047, 1998.
G. Ceder, Kohan, A. F., Aydinol, M. K., Tepesch, P. D., and Van der Ven, A., Thermodynamics of oxides with substitutional disorder: A microscopic model and evaluation of important energy contributions, Journal of the American Ceramic Society, vol. 81, no. 3, pp. 517 - 525, 1998.
1997
M. K. Aydinol, Kohan, A. F., and Ceder, G., Ab initio calculation of the intercalation voltage of lithium transition metal oxide electrodes for rechargeable batteries, Journal of Power Sources, vol. 68, no. 2, pp. 664 - 668, 1997.
M. K. Aydinol, Kohan, A. F., Ceder, G., Cho, K., and Joannopoulos, J. D., Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides, Physical Review B, vol. 56, no. 3, pp. 1354 - 1365, 1997.
G. Ceder, Aydinol, M. K., and Kohan, A. F., Application of first-principles calculations to the design of rechargeable Li-batteries, Computational Materials Science, vol. 8, no. 1-2, pp. 161 - 169, 1997.
A. F. Kohan and Ceder, G., Calculation of total energies in multicomponent oxides, Computational Materials Science, vol. 8, no. 1-2, pp. 142 - 152, 1997.
M. K. Aydinol, Ceder, G., and Kohan, A. F., Effect of chemistry and structure on voltage of Li intercalation oxides, in Solid-State Chemistry of Inorganic Materials, vol. 453, P. K. Davies, Jacobson, A. J., Torardi, C. C., and Vanderah, T. A. 1997, pp. 233 - 238.
M. K. Aydinol and Ceder, G., First-principles prediction of insertion potentials in Li-Mn oxides for secondary Li batteries, Journal of the Electrochemical Society, vol. 144, no. 11, pp. 3832 - 3835, 1997.
G. Ceder, Tepesch, P. D., Kohan, A. F., and Van der Ven, A., A model to predict ionic disorder and phase diagrams: Application to CaO-MgO, Gd2O3-ZrO2, and to sodium beta ''-alumina, Journal of Electroceramics, vol. 1, no. 1, pp. 15 - 26, 1997.
J. R. Lee, Chiang, Y. M., and Ceder, G., Pressure-thermodynamic study of grain boundaries: Bi segregation in ZnO, Acta Materialia, vol. 45, no. 3, pp. 1247 - 1257, 1997.
1996
G. D. Garbulsky and Ceder, G., Configuration dependence of the vibrational free energy in substitutional alloys and its effects on phase stability, in Materials Theory, Simulations, and Parallel Algorithms, vol. 408, E. Kaxiras, Joannopoulos, J. D., Vashishta, P., and Kalia, R. K. 1996, pp. 309 - 314.
G. D. Garbulsky and Ceder, G., Contribution of the vibrational free energy to phase stability in substitutional alloys: Methods and trends, Physical Review B, vol. 53, no. 14, pp. 8993 - 9001, 1996.
G. Ceder, Tepesch, P. D., Garbulsky, G. D., and Kohan, A. F., Lattice models and cluster expansions for the prediction of oxide phase diagrams and defect arrangements. 1996.
P. D. Tepesch, Kohan, A. E., Garbulsky, G. D., Ceder, G., Coley, C., Stokes, H. T., Boyer, L. L., Mehl, M. J., Burton, B. P., Cho, K. J., and Joannopoulos, J. D., 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, vol. 79, no. 8, pp. 2033 - 2040, 1996.
S. Balasubramanian, Ceder, G., and Kolenbrander, K. D., Three-dimensional epitaxy: Thermodynamic stability range of coherent germanium nanocrystallites in silicon host, in Surface/Interface and Stress Effects in Electronic Materials Nanostructures, vol. 405, S. M. Prokes, Cammarata, R. C., Wang, K. L., and Christou, A. 1996, pp. 133 - 138.
S. Balasubramanian, Ceder, G., and Kolenbrander, K. D., Three-dimensional epitaxy: Thermodynamic stability range of coherent germanium nanocrystallites in silicon, Journal of Applied Physics, vol. 79, no. 8, pp. 4132 - 4136, 1996.
A. F. Kohan and Ceder, G., Tight-binding calculation of formation energies in multicomponent oxides: Application to the MgO-CaO phase diagram, Physical Review B, vol. 54, no. 2, pp. 805 - 811, 1996.

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