Functionalization of α-In2Se3 Monolayer via Adsorption of Small Molecule for Gas Sensing

Based on first-principles calculations, the adsorption of NO and NO2 gas molecules on the α-In2Se3 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 of NO...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Main Authors: Zhi Xie, Fugui Yang, Xuee Xu, Rui Lin, Limin Chen
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2018-09-01
Colecção:Frontiers in Chemistry
Assuntos:
2D materials
first-principles calculation
In2Se3
charge transfer
gas sensor
Acesso em linha:https://www.frontiersin.org/article/10.3389/fchem.2018.00430/full
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!

Registos relacionados