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Functionalization of α-In(2)Se(3) Monolayer via Adsorption of Small Molecule for Gas Sensing

Based on first-principles calculations, the adsorption of NO and NO(2) gas molecules on the α-In(2)Se(3) monolayer have been studied. The adsorption configuration, adsorption energy, electronic structure and charge transfer properties are investigated. It is found that the charge transfer processes...

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Detalles Bibliográficos
Autores principales:	Xie, Zhi, Yang, Fugui, Xu, Xuee, Lin, Rui, Chen, Limin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6169259/ https://www.ncbi.nlm.nih.gov/pubmed/30320063 http://dx.doi.org/10.3389/fchem.2018.00430

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