Gas adsorption performance of Ta doped MoSe2 based on first principles
In this paper, the effect of Ta doping on the gas sensitivity of two-dimensional MoSe2 is studied by first-principles calculation, it is found that Ta atoms can be stably doped in Se vacancies on two-dimensional MoSe2 supercells. The adsorption properties of four toxic gases CO, H2S, SO2 and HCN on...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-11-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379722005927 |