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Highly Selective Adsorption on SiSe Monolayer and Effect of Strain Engineering: A DFT Study

The adsorption types of ten kinds of gas molecules (O(2), NH(3), SO(2), CH(4), NO, H(2)S, H(2), CO, CO(2), and NO(2)) on the surface of SiSe monolayer are analyzed by the density-functional theory (DFT) calculation based on adsorption energy, charge density difference (CDD), electron localization fu...

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Detalles Bibliográficos
Autores principales:	Zhou, Quan, Liu, Lian, Liu, Qipeng, Wang, Zeping, Gao, Chenshan, Liu, Yufei, Ye, Huaiyu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7070421/ https://www.ncbi.nlm.nih.gov/pubmed/32059398 http://dx.doi.org/10.3390/s20040977

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