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Monolayer GeS as a potential candidate for NO2 gas sensor and capturer

Abstract

The gas sensing properties of single-layer GeS have been studied by performing density functional theory (DFT) calculations, and present results demonstrate that monolayer GeS exhibits a high selectivity and sensibility toward NO2 molecule, short recovery time, coupled with strong anisotropic transport feature. Moreover, applying biaxial strains and electric fields could effectively modulate the capture and releasing of gaseous NO2. Further calculations indicate that oxygen atom and water molecule decorated on GeS hardly affects the superb selectivity toward NO2 against the other gases. The presence of S-vacancy on GeS monolayer greatly promotes the adsorption of NO2, facilitating the molecule dissociation. The underlying mechanism is also elaborated at the level of electronic structures. Present findings endow GeS monolayers as potential materials for NO2 gas sensors and capturer in future applications.

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Publication details

The article was received on 29 May 2018, accepted on 05 Jul 2018 and first published on 10 Jul 2018


Article type: Paper
DOI: 10.1039/C8TC02626B
Citation: J. Mater. Chem. C, 2018, Accepted Manuscript
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    Monolayer GeS as a potential candidate for NO2 gas sensor and capturer

    S. Ma, D. Yuan, Y. Wang and Z. Jiao, J. Mater. Chem. C, 2018, Accepted Manuscript , DOI: 10.1039/C8TC02626B

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