K. Shimizu

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cond-mat.mtrl-sci2020

Phase stability of Au-Li binary systems studied using neural network potential

Koji Shimizu, Elvis F. Arguelles, Wenwen Li +3

The miscibility of Au and Li exhibits a potential application as an adhesion layer and electrode material in secondary batteries. Here, to explore alloying properties, we construct…

cond-mat.mtrl-sci2012

Molecular Orientation and Surface Site Dependence of the Dissociative Adsorption of O $_{2}$ /Al(111)

K. Shimizu, W. A. Diño, H. Kasai

We reproduced the initial sticking probability of O $_{2}$ /Al(111) by use of spin-polarized density functional theory and quantum dynamics calculations. We found a large activation…

Phase stability of Au-Li binary systems studied using neural network potential

Molecular Orientation and Surface Site Dependence of the Dissociative Adsorption of O2​/Al(111)

Molecular Orientation and Surface Site Dependence of the Dissociative Adsorption of O $_{2}$ /Al(111)