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Rh-doped MoSe<sub>2</sub> as a toxic gas scavenger: a first-principles study

Hao CuiChinaGuozhi ZhangChinaXiaoxing ZhangChinaJu TangChina
2018en
ABI

Abstract

Using first-principles theory, we investigated the most stable configuration for the Rh dopant on a MoSe<sub>2</sub> monolayer, and the interaction of the Rh-doped MoSe<sub>2</sub> (Rh-MoSe<sub>2</sub>) monolayer with four toxic gases (CO, NO, NO<sub>2</sub> and SO<sub>2</sub>) to exploit the potential application of the Rh-MoS<sub>2</sub> monolayer as a gas sensor or adsorbent.

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DOI
10.1039/c8na00233a

Citations and references

Cited by 40 references
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