Interaction between H2O, N2, CO, NO, NO2 and N2O molecules and a defective WSe2 monolayer

Author:

Ma Dongwei1234ORCID,Ma Benyuan5674,Lu Zhiwen5674,He Chaozheng5674,Tang Yanan89104ORCID,Lu Zhansheng1112134ORCID,Yang Zongxian1112134ORCID

Affiliation:

1. School of Physics

2. Anyang Normal University

3. Anyang 455000

4. China

5. Physics and Electronic Engineering College

6. Nanyang Normal University

7. Nanyang 473061

8. College of Physics and Electronic Engineering

9. Zhengzhou Normal University

10. Zhengzhou

11. College of Physics and Materials Science

12. Henan Normal University

13. Xinxiang 453007

Abstract

The interaction of various gas molecules with a defective WSe2 monolayer is theoretically studied. The defective WSe2 monolayer exhibits enhanced sensing ability toward H2O and N2 molecules. The doping of the WSe2 monolayer due to the interaction of CO, NO, NO2, and N2O molecules with Se vacancies is discussed.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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