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Electronic and optical properties of Janus ZrSSe by density functional theory

In the present work, we investigate systematically the electronic and optical properties of Janus ZrSSe using first-principles calculations. Our calculations demonstrate that the Janus ZrSSe monolayer is an indirect semiconductor at equilibrium. The band gap of the Janus ZrSSe is 1.341 eV using the...

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Detalles Bibliográficos
Autores principales:	Vu, Tuan V., Tong, Hien D., Tran, Duy Phu, Binh, Nguyen T. T., Nguyen, Chuong V., Phuc, Huynh V., Do, Hoat M., Hieu, Nguyen N.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9076358/ https://www.ncbi.nlm.nih.gov/pubmed/35540071 http://dx.doi.org/10.1039/c9ra08605f

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