Publications

Found 293 results
Filters: Author is Gerbrand Ceder  [Clear All Filters]
2008
B. Han, Persson, K., and Ceder, G., FUEL 73-Ab initio prediction of platinum nanoparticle dissolution in an acid aqueous environment, Abstracts of Papers of the American Chemical Society, vol. 236, 2008.
G. K. Singh, Ceder, G., and Bazant, M. Z., Intercalation dynamics in rechargeable battery materials: General theory and phase-transformation waves in LiFePO4, Electrochimica Acta, vol. 53, no. 26, pp. 7599 - 7613, 2008.
Y. S. Meng, Hinuma, Y., and Ceder, G., An investigation of the sodium patterning in Na(x)CoO(2) (0.5 <= x <= 1) by density functional theory methods, Journal of Chemical Physics, vol. 128, no. 10, 2008.
S. Ping Ong, Wang, L., Kang, B., and Ceder, G., Li-Fe-P-O-2 phase diagram from first principles calculations, Chemistry of Materials, vol. 20, no. 5, pp. 1798 - 1807, 2008.
D. Burch, Singh, G., Ceder, G., and Bazant, M. Z., Phase-transformation wave dynamics in LiFePO(4), in Theory, Modeling and Numerical Simulation of Multi-Physics Materials Behavior, vol. 139, V. Tikare, Murch, G. E., Soisson, F., and Kang, J. K. 2008, pp. 95 - 100.
L. Bi, Taussig, A. R., Kim, H. - S., Wang, L., Dionne, G. F., Bono, D., Persson, K., Ceder, G., and Ross, C. A., Structural, magnetic, and optical properties of BiFeO(3) and Bi(2)FeMnO(6) epitaxial thin films: An experimental and first-principles study, Physical Review B, vol. 78, no. 10, 2008.
Y. Hinuma, Meng, Y. S., and Ceder, G., Temperature-concentration phase diagram of P2-Na(x)CoO(2) from first-principles calculations, Physical Review B, vol. 77, no. 22, 2008.
2007
C. R. Miranda and Ceder, G., Ab initio investigation of ammonia-borane complexes for hydrogen storage, Journal of Chemical Physics, vol. 126, no. 18, 2007.
K. Tibbetts, Miranda, C. R., Meng, Y. S., and Ceder, G., An ab initio study of lithium diffusion in titanium disulfide nanotubes, Chemistry of Materials, vol. 19, no. 22, pp. 5302 - 5308, 2007.
B. Han and Ceder, G., COLL 372-Particle size and surface structural effects on electrocatalytic activity of Pt, Abstracts of Papers of the American Chemical Society, vol. 234, 2007.
J. M. Gallardo-Amores, Biskup, N., Amador, U., Persson, K., Ceder, G., Moran, E., Arroyo, M. E., and Arroyo y de Dompablo, M. E., Computational and experimental investigation of the transformation of V2O5 under pressure, Chemistry of Materials, vol. 19, no. 22, pp. 5262 - 5271, 2007.
H. Xia, Meng, Y. S., Lu, L., and Ceder, G., Electrochemical properties of nonstoichiometric LiNi0.5Mn1.5O4-delta thin-film electrodes prepared by pulsed laser deposition, Journal of the Electrochemical Society, vol. 154, no. 8, pp. A737 - A743, 2007.
L. Wang, Maxisch, T., and Ceder, G., A first-principles approach to studying the thermal stability of oxide cathode materials, Chemistry of Materials, vol. 19, no. 3, pp. 543 - 552, 2007.
J. X. Zheng, Ceder, G., Maxisch, T., Chim, W. K., and Choi, W. K., First-principles study of native point defects in hafnia and zirconia, Physical Review B, vol. 75, no. 10, 2007.
L. Wang, Zhou, F., Meng, Y. S., and Ceder, G., First-principles study of surface properties of LiFePO(4): Surface energy, structure, Wulff shape, and surface redox potential, Physical Review B, vol. 76, no. 16, 2007.
H. Xia, Tang, S. B., Lu, L., Meng, Y. S., and Ceder, G., The influence of preparation conditions on electrochemical properties of LiNi0.5Mn1.5O4 thin film electrodes by PLD, Electrochimica Acta, vol. 52, no. 8, pp. 2822 - 2828, 2007.
J. Breger, Kang, K., Cabana, J., Ceder, G., and Grey, C. P., NMR, PDF and RMC study of the positive electrode material Li(Ni0.5Mn0.5) O-2 synthesized by ion-exchange methods, Journal of Materials Chemistry, vol. 17, no. 30, pp. 3167 - 3174, 2007.
H. Xia, Lu, L., Meng, Y. S., and Ceder, G., Phase transitions and high-voltage electrochemical behavior of LiCoO2 thin films grown by pulsed laser deposition, Journal of the Electrochemical Society, vol. 154, no. 4, pp. A337 - A342, 2007.
Y. Hinuma, Meng, Y. S., Kang, K., and Ceder, G., Phase transitions in the LiNi0.5Mn0.5O2 system with temperature, Chemistry of Materials, vol. 19, no. 7, pp. 1790 - 1800, 2007.
G. Ceder, Fischer, C., and Morgan, D., A practical approach to the prediction of crystal structure by merging data-mining methods with first principles quantum mechanics, Abstracts of Papers of the American Chemical Society, vol. 233, 2007.
X. Ma, Kang, K., Ceder, G., and Meng, Y. Shirley, Synthesis and electrochemical properties of layered LiNi2/3Sb1/3O2, Journal of Power Sources, vol. 173, no. 1, pp. 550 - 555, 2007.
G. Grigoryan, Zhou, F., Ceder, G., Morgan, D., and Keating, A. E., Ultra-fast evaluation of protein energies directly from sequence: Speeding up protein design, Biophysical Journal, p. 218A - 218A, 2007.

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