Fe2GeS4 (010) surface oxidation mechanism and potential application of the oxidized surface in gas sensing: A first-principles study

Dandan Wang,Anqi She,Huiru Yang,Xueting Liu,Haibo Li,Ming Feng

Journal of Alloys and Compounds（2021）

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摘要

•Fe2GeS4 (010) surface oxidization mechanism is investigated and determined in detail.•The electronic properties of Fe2GeS4 (010) surface are altered obviously by surface oxidation.•The fully oxidized Fe2GeS4 (010) surface possesses great potential in gas sensing and detection of NO, NO2 and SO2.

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关键词

Fe2GeS4,Surface oxidation,First-principles calculations,Gas sensing

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