Comprehensive study of lithium adsorption and diffusion on janus Mo/WXY (X, Y= S, Se, Te) using first principles and machine learning approaches

被引：0

作者：

Chaney, Gracie ^{[1
]}

Ibrahim, Akram ^{[1
]}

Ersan, Fatih ^{[1
,2
]}

Çakır, D. ^{[3
]}

Ataca, Can ^{[1
]}

机构：

[1] Department of Physics, University of Maryland Baltimore County, 1000 Hilltop Circ., Baltimore,MD,21250, United States

[2] Department of Physics, Aydın Adnan Menderes University, Aydın,09100, Turkey

[3] Department of Physics and Astrophysics, University of North Dakota, Grand Forks,ND,58202, United States

来源：

arXiv | 2021年

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摘要：

Adsorption - Atoms - Calculations - Charge transfer - Chemical bonds - Density functional theory - Design for testability - Diffusion - Electronic structure - Impurities - Layered semiconductors - Lithium - Machine learning - Open circuit voltage - Transition metals

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