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Ab Initio Investigation of the Hydrogen Interaction on Two Dimensional Silicon Carbide

[Image: see text] A series of density functional theory calculations were performed to understand the bonding and interaction of hydrogen adsorption on two-dimensional silicon carbide obtained from molecular dynamics simulation. The converged energy results pointed out that the H atom can sufficient...

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Detalles Bibliográficos
Autores principales:	Nguyen, Phi Minh, Van Nguyen, Hoa, Lam, Vi Toan, Nhu Duong, Tranh Thi, Chong, Tet Vui, Tran, Hanh Thi Thu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9798518/ https://www.ncbi.nlm.nih.gov/pubmed/36591197 http://dx.doi.org/10.1021/acsomega.2c04532

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