Publications
Filters: Author is Van der Ven, Anton [Clear All Filters]
Effects of strain on the stability of tetragonal ZrO 2. Physical Review B. 94(5):054108.
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2016. Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles. Journal of Physical Chemistry C. 120(23):12403-12410.
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2016. Phase and structural stability in Ni-Al systems from first principles. Physical Review B. 94(9):14.
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2016. Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28(21):7898–7904.
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2016. Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28:7898–7904.
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2016. Stacking-sequence changes and Na ordering in layered intercalation materials. Chemistry of Materials. 28:8640–8650.
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2016. Anharmonicity and phase stability of antiperovskite Li 3 OCl. Physical Review B. 91:214306.
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2015. Factors Contributing to Path Hysteresis of Displacement and Conversion Reactions in Li Ion Batteries. Chemistry of Materials. 27:7593–7600.
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2015. High-temperature stability of $δ$′-ZrO. Calphad. 51:292–298.
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2015. Role of vibrational and configurational excitations in stabilizing the L 1 2 structure in Co-rich Co-Al-W alloys. Physical Review B. 92:174117.
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2015. Testing predictions from density functional theory at finite temperatures: $\beta$ 2-like ground states in Co-Pt. Physical Review B. 92:085119.
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2015.