Publications

Found 214 results
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Journal Article
Saber, Muna, Colleen Reynolds, Jonathan Li, Tresa M. Pollock, and Anton Van der Ven. "Chemical and structural factors affecting the stability of Wadsley–Roth block phases." Inorganic Chemistry 62 (2023): 17317-17332.
Kim, Seong Shik, Daniil A. Kitchaev, Eshaan S. Patheria, Colin T. Morrell, Michelle D. Qian, Jessica L. Andrews, Qizhang Yan, Shu-Ting Ko, Jian Luo, Brent C. Melot et al. "Cation Vacancies Enable Anion Redox in Li Cathodes." Journal of the American Chemical Society 146 (2024): 20951-20962.
Kaufman, Jonas L., and Anton Van der Ven. "Cation Diffusion Facilitated by Antiphase Boundaries in Layered Intercalation Compounds." Chemistry of Materials 34 (2022): 1889-1896.
Puchala, Brian, John C. Thomas, Anirudh Raju Natarajan, Jon Gabriel Goiri, Sesha Sai Behara, Jonas L. Kaufman, and Anton Van der Ven. "CASM—A software package for first-principles based study of multicomponent crystalline solids." Computational Materials Science 217 (2023): 111897.
Puchala, Brian, John C. Thomas, and Anton Van der Ven. "CASM Monte Carlo: Calculations of the thermodynamic and kinetic properties of complex multicomponent crystals." arXiv preprint arXiv:2309.11761 (2023).
L. Barnard, G.A. Young, B. Swoboda, S. Choudhury, A. Van der Ven, D. Morgan, and J.D. Tucker. "Atomistic modeling of the order–disorder phase transformation in the Ni 2 Cr model alloy." Acta Materialia 81 (2014): 258-271.
Q. Xu, and A. Van der Ven. "Atomic transport in ordered compounds mediated by local disorder: Diffusion in B 2-Ni x Al 1- x." Physical Review B 81 (2010): 064303.
J.E. Bickel, N.A. Modine, A. Van der Ven, and J.M. Millunchick. "Atomic size mismatch strain induced surface reconstructions." Applied Physics Letters 92 (2008): 062104.
B. Swoboda, A. Van der Ven, and D. Morgan. "Assessing concentration dependence of fcc metal alloy diffusion coefficients using kinetic Monte Carlo." Journal of phase equilibria and diffusion 31 (2010): 250-259.
Kaufman, Jonas L., and Anton Van der Ven. "Antiphase boundary migration as a diffusion mechanism in a P3 sodium layered oxide." Phys. Rev. Mater. 5 (2021): 055401.
M.H. Chen, A. Emly, and A. Van der Ven. "Anharmonicity and phase stability of antiperovskite Li 3 OCl." Physical Review B 91 (2015): 214306.
Kim, Sung Joo, Donghee Chang, Kui Zhang, George Graham, Anton Van der Ven, and Xiaoqing Pan. "Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode." ACS Energy Letters 3 (2018).
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.
K.A. See, M. Leskes, J.M. Griffin, S. Britto, P.D. Matthews, A. Emly, A. Van der Ven, D.S. Wright, A.J. Morris, C.P. Grey et al. "Ab Initio Structure Search and in Situ 7Li NMR Studies of Discharge Products in the Li–S Battery System." Journal of the American Chemical Society 136 (2014): 16368-16377.

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