The Potential Application of BAs for a Gas Sensor for Detecting SO2 Gas Molecule: a DFT Study

The Potential Application of BAs for a Gas Sensor for Detecting SO2 Gas Molecule: a DFT Study

Abstract Different atmospheric gas molecules (e.g., N2, O2, CO2, H2O, CO, NO, NO2, NH3, and SO2) are absorbed on the pristine hexagonal boron arsenide (BAs) through density functional theory calculations. For each gas molecules, various adsorption positions were considered. The most stable adsorptio...

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Bibliographic Details
Main Authors: Jian Ren, Weijia Kong, Jiaming Ni
Format: Article
Language:English
Published: SpringerOpen 2019-04-01
Series:Nanoscale Research Letters
Subjects:
Electronic structure
Density functional theory
Adsorption energy
Gas molecule
BAs
Online Access:http://link.springer.com/article/10.1186/s11671-019-2972-4

Internet

http://link.springer.com/article/10.1186/s11671-019-2972-4

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