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3 results in Keywords: ab initio molecular dynamics simulations

Inorganic Chemistry

Ab Initio Molecular Dynamics Study of Trivalent Rare Earth Rich Borate Glasses: Structural Insights and Formation Mechanisms

Takahiro Ohkubo, Syunta Sasaki, Atsunobu Masuno, Eiji Tsuchida

Version 1 posted 26 July 2024

121

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Theoretical and Computational Chemistry

Hot atom chemistry: oxygen at stepped platinum surfaces

Version 1 posted 29 December 2021

183

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Initial steps in the formation of the solid electrolyte interphase on alkaline metal anodes studied by ab initio simulations

Daniel Stottmeister, Axel Gross

Version 1 posted 06 April 2023

211

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