First-principles investigations on the mechanism of highly sensitive and selective trimethylamine sensing in MoO3

Applied Surface Science(2020)

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摘要
•Surface defects in MoO3(0 1 0) generally enhance the adsorption of various biological molecules.•TMA exhibits the strongest adsorption on MoO3(0 1 0) among all the molecules considered.•A clear relationship between adsorption strength and charge transfer is identified.
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关键词
Solid-state sensors,Trimethylamine,Oxygen semiconductors,Surface defect,First-principles
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