Adsorption Behavior of CH4 Gas Molecule on the MoX2(S, Se, Te) Monolayer: The DFT Study
Abstract We predict the CH4-sensing performance of monolayer MoX2(S, Se, Te) with X-vacancy, Mo-vacancy, and divacancy by the density functional theory (DFT). The results demonstrate that the combination of different sixth main group elements with Mo atom has different adsorption behaviors for CH4 g...
Main Authors: | Jian Ren, Hui Liu, Yanyan Xue, Lin Wang |
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Format: | Article |
Language: | English |
Published: |
SpringerOpen
2019-08-01
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Series: | Nanoscale Research Letters |
Subjects: | |
Online Access: | http://link.springer.com/article/10.1186/s11671-019-3125-5 |
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