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Journal of Materials Science: Materials in Electronics
Erschienen in: Journal of Materials Science: Materials in Electronics 20/2019

21.09.2019

Highly sensitive toxic gas molecule sensor based on defect-induced silicene

verfasst von: Bahar Meshginqalam, Jamal Barvestani

Erschienen in: Journal of Materials Science: Materials in Electronics | Ausgabe 20/2019

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Abstract

The performance of a silicene-based nanosensor for toxic gas molecules detection is investigated using DFT calculations in terms of sensing configurations, adsorption energies, charge transfer, band gap modulations and density of states. While silicene provides acceptable sensing capability for NO and NO2 molecules, its sensing features should be improved for other toxic gases. The vacancy defect in silicene is considered due to enhancing the adsorption parameters which cause the absorption energies increments more than 3 times for NO, NO2 and CO molecules and 10 times for HCN. Furthermore, non-zero DOS values around Fermi level are obtained during sensing based on defected silicene which introduce the vacancy defected silicene as a highly sensitive sensor for toxic gas molecules.
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Metadaten
Titel
Highly sensitive toxic gas molecule sensor based on defect-induced silicene
verfasst von
Bahar Meshginqalam
Jamal Barvestani
Publikationsdatum
21.09.2019
Verlag
Springer US
Erschienen in
Journal of Materials Science: Materials in Electronics / Ausgabe 20/2019
Print ISSN: 0957-4522
Elektronische ISSN: 1573-482X
DOI
https://doi.org/10.1007/s10854-019-02216-w

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