First-Principles Study of χ<sub>3</sub>-Borophene as a Candidate for Gas Sensing and the Removal of Harmful Gases

First-Principles Study of χ<sub>3</sub>-Borophene as a Candidate for Gas Sensing and the Removal of Harmful Gases

The potential application of borophene as a sensing material for gas-sensing devices is investigated in this work. We utilize density functional theory (DFT) to systematically study the adsorption mechanism and sensing performance of χ<sub>3</sub>-borophene to search for high-sensitivity...

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Bibliographic Details
Main Authors: Jia-Xing Duan, Yu-Ping Tian, Chao-Bo Wang, Lian-Lian Zhang
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Nanomaterials
Subjects:
borophene
adsorption
harmful gas
first-principles calculation
Online Access:https://www.mdpi.com/2079-4991/13/14/2117

Internet

https://www.mdpi.com/2079-4991/13/14/2117

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