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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2018-09-01
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| Series: | Frontiers in Chemistry |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/article/10.3389/fchem.2018.00430/full |