Pristine and Ni-doped WTe2 monolayer for adsorption and sensing of C2H2 and C2H4 in oil-immersed transformers: A DFT study

Computational and Theoretical Chemistry（2023）

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摘要

•physicochemical properties of pristine and Ni-doped WTe2 monolayer are expounded.•Adsorption properties of such two nano-surface upon C2H2 and C2H4 are illustrated.•Uncover the sensing mechanism of pristine WTe2 monolayer and enhanced performance of Ni-doping.

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关键词

Pristine WTe 2 monolayer, Ni -doping, Transformer oil, Density functional theory, Gas sensor

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