Adsorption and sensing of dissolved gas molecules in transformer oil on Rh-doped MoTe2 monolayer: A first-principles study

Bo Liu,Ye Yuan,Yong Gong,Rong Zhou,Peng Li,Hao Cui

Computational and Theoretical Chemistry（2023）

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摘要

•Rh-doping on the MoTe2 monolayer facilitates its adsorption on the gas molecules.•The adsorption performance of Rh-MoTe2 monolayer on CO molecule is more optimal than that on H2 and CH4 molecules.•The Rh-MoTe2 monolayer can be used as a resistance-type sensor for the detection of CO and H2, while CH4 is not suitable for detection.

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关键词

Oil-immersed transformer,Rh-MoTe2 monolayer,DFT,DGA

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