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Janus MoSSe monolayer: superior and strain-sensitive gas sensing material

Abstract

Recent fabrication of Janus MoSSe monolayer has raised exciting prospects of the polar two-dimensional (2D) materials that exhibit excellent properties for nanodevice applications. Here, we proposed MoSSe as the superior gas sensing material by investigating the adsorption of CO, CO2, NH3, NO and NO2 on the Janus layer by first-principles calculations. Due to the presence of out-plane polarization originated from the asymmetrical structure, it is found that NH3 adopts distinct opposite orientations when it is adsorbed on Se or S side of the Janus layer. The binding strengths of all the molecules adsorption on Se surface are generally much stronger than these on the S surface. More interestingly, upon the strain deformation, the adsorption strengths of molecules NH3 and NO2 on Se side of MoSSe can be remarkably enhanced, but gradually lowered on S side. We revealed that the strain-dependent adsorption behavior is driven by a significant change of electrostatic potential difference between the Se and S surfaces under tensile strain. Corresponding to the distinct adsorption behaviors on two sides, different electronic variations are also revealed. With the higher gas selectivity, surface and strain selectivity, Janus MoSSe is proposed as an ideal material for constructing ultrahigh-sensitivity nanoscale sensors.

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Publication details

The article was received on 30 Aug 2018, accepted on 03 Dec 2018 and first published on 03 Dec 2018


Article type: Paper
DOI: 10.1039/C8TA08407F
Citation: J. Mater. Chem. A, 2018, Accepted Manuscript
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    Janus MoSSe monolayer: superior and strain-sensitive gas sensing material

    C. Jin, X. Tang, X. Tan, S. Smith, Y. Dai and L. Kou, J. Mater. Chem. A, 2018, Accepted Manuscript , DOI: 10.1039/C8TA08407F

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