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Gas Adsorption Investigation on SiGe Monolayer: A First-Principle Calculation

The gas adsorption behaviors of CO, CO(2), SO(2), NO(2), NO, NH(3), H(2), H(2)O, and O(2) on SiGe monolayer are studied using the first-principles calculation method. Three special adsorption sites and different gas molecule orientations are considered. Based on adsorption energy, band gap, charge t...

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Detalles Bibliográficos
Autores principales:	Sun, Xiang, Guo, Yuzheng, Zhao, Yan, Liu, Sheng, Li, Hui
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7284365/ https://www.ncbi.nlm.nih.gov/pubmed/32438684 http://dx.doi.org/10.3390/s20102879

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