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Effect of doped H, Br, Cu, Kr, Ge, As and Fe on structural features and bandgap of poly C13H8OS-X: a DFT calculation

Structural features such as the shape, the lattice constant, the bond length, the total energy per cell, and the energy bandgap (E(g)) of C(13)H(8)OS-X are studied by the calculating Partial Density Of States (PDOS), and DOS package of the Material Studio (MS) software. Calculations show that the bo...

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Detalles Bibliográficos
Autores principales:	Vu Quoc, Trung, Duong, La Trieu, Quoc, Van Duong, Tran Quoc, Tuan, Nguyen Trong, Dung, Talu, Stefan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Taylor & Francis 2021
Materias:	Full Length Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7872542/ https://www.ncbi.nlm.nih.gov/pubmed/33658884 http://dx.doi.org/10.1080/15685551.2021.1877431

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