Publications

Found 206 results
Author Title Type [ Year(Asc)]
2008
A. Van der Ven, J.C. Thomas, Q. Xu, B. Swoboda, and D. Morgan. "Nondilute diffusion from first principles: Li diffusion in Li x TiS 2." Physical Review B 78 (2008): 104306.
H.C. Yu, A. Van der Ven, and K. Thornton. "Theory of grain boundary diffusion induced by the Kirkendall effect." Applied Physics Letters 93 (2008): 091908.
2007
Q. Xu, and A. Van der Ven. "First-principles investigation of metal-hydride phase stability: The Ti-H system." Physical Review B 76 (2007): 064207.
H.C. Yu, D.H. Yeon, A. Van der Ven, and K. Thornton. "Substitutional diffusion and Kirkendall effect in binary crystalline solids containing discrete vacancy sources and sinks." Acta Materialia 55 (2007): 6690-6704.
2006
A. Van der Ven, D. Morgan, Y.S. Meng, and G. Ceder. "Phase stability of nickel hydroxides and oxyhydroxides." Journal of The Electrochemical Society 153 (2006): A210-A215.
2005
Y.S. Meng, A. Van der Ven, M.K.Y. Chan, and G. Ceder. "Ab initio study of sodium ordering in Na 0.75 Co O 2 and its relation to Co 3+/ Co 4+ charge ordering." Physical Review B 72 (2005): 172103.
A. Van der Ven, and G. Ceder. "First principles calculation of the interdiffusion coefficient in binary alloys." Physical review letters 94 (2005): 045901.
B.C. Han, A. Van der Ven, G. Ceder, and B.J. Hwang. "Surface segregation and ordering of alloy surfaces in the presence of adsorbates." Physical Review B 72 (2005): 205409.
M. Wagemaker, A. Van der Ven, D. Morgan, G. Ceder, F.M. Mulder, and G.J. Kearley. "Thermodynamics of spinel Li x TiO 2 from first principles." Chemical Physics 317 (2005): 130-136.
A. Van der Ven, and G. Ceder. "Vacancies in ordered and disordered binary alloys treated with the cluster expansion." Physical Review B 71 (2005): 054102.
2004
Han, BC, A Van der Ven, D Morgan, and G Ceder. "Electrochemical modeling of intercalation processes with phase field models." Electrochimica Acta 49 (2004): 4691-4699.
Tang, Hairong, Anton Van der Ven, and Bernhardt L. Trout. "Lateral interactions between oxygen atoms adsorbed on platinum (111) by first principles." Molecular Physics 102 (2004): 273-279.
D. Morgan, A. Van der Ven, and G. Ceder. "Li conductivity in Li x MPO 4 (M= Mn, Fe, Co, Ni) olivine materials." Electrochemical and solid-state letters 7 (2004): A30-A32.
A. Van der Ven, and G. Ceder. "Ordering in Li x (Ni 0.5 Mn 0.5) O 2 and its relation to charge capacity and electrochemical behavior in rechargeable lithium batteries." Electrochemistry communications 6 (2004): 1045-1050.
H. Tang, A. Van der Ven, and B.L. Trout. "Phase diagram of oxygen adsorbed on platinum (111) by first-principles investigation." Physical Review B 70 (2004): 045420.
A. Van der Ven, and G. Ceder. "The thermodynamics of decohesion." Acta Materialia 52 (2004): 1223-1235.
2003
Carlier, D, A Van der Ven, Claude Delmas, and Gerbrand Ceder. "First-principles investigation of phase stability in the O2-LiCoO2 system." Chemistry of materials 15 (2003): 2651-2660.
Van der Ven, A, and G Ceder. "Impurity-induced van der Waals transition during decohesion." Physical Review B 67 (2003): 060101.
2002
Arroyo y de Dompablo, ME, A Van der Ven, and G Ceder. "First-principles calculations of lithium ordering and phase stability on Li x NiO 2." Physical Review B 66 (2002): 064112.
Smithson, H, CA Marianetti, D Morgan, A Van der Ven, A Predith, and G Ceder. "First-principles study of the stability and electronic structure of metal hydrides." Physical Review B 66 (2002): 144107.
2001
A. Van der Ven, G. Ceder, M. Asta, and P.D. Tepesch. "First-principles theory of ionic diffusion with nondilute carriers." Physical Review B 64 (2001): 184307.
Arroyo y de Dompablo, ME, C Marianetti, A Van der Ven, and G Ceder. "Jahn-Teller mediated ordering in layered Li x M O 2 compounds." Physical Review B 63 (2001): 144107.
Reed, J, G Ceder, and A Van der Ven. "Layered-to-Spinel Phase Transition in Li x MnO2." Electrochemical and Solid-State Letters 4 (2001): A78-A81.
A. Van der Ven, and G. Ceder. "Lithium diffusion mechanisms in layered intercalation compounds." Journal of power sources 97 (2001): 529-531.
2000
Ceder, G, A Van der Ven, C Marianetti, and D Morgan. "First-principles alloy theory in oxides." Modelling and Simulation in Materials Science and Engineering 8 (2000): 311.

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