期刊
SURFACE SCIENCE
卷 670, 期 -, 页码 33-43出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2017.12.013
关键词
Armchair silicene nanoribbons; Sensors; Molecular adsorption; Nitrogen based gases; Density functional theory
资金
- Department of Science & Technology (DST) of India-Promotion of University Research and Scientific Excellence (PURSE) scheme
In this paper, the electronic and transport properties of armchair silicene nanoribbons (ASiNRs) are analyzed for their application as highly selective and sensitive gas molecule sensors. The study is focused on sensing three nitrogen based gases; ammonia (NH3), nitrogen dioxide (NO2) and nitric oxide (NO), which depending upon their adsorption energy and charge transfer, form bonds of varying strength with ASiNRs. The negligible band gap of ASiNRs is tuned by adding a defect in ASiNRs. Adsorption of NH3 leads to the opening of band gap whereas on adsorption of NO2 and NO, ASiNRs exhibit metallic nature. Distinctly divergent electronic and transport properties of ASiNRs are observed and on adsorption of NH3, NO2 and NO, renders them suitable for sensing them. All gas molecules show stronger adsorption on defective ASiNRs (D-ASiNRs) as compared to pristine ASiNRs (P-ASiNRs). The work reveals that introduction of defect can drastically improve the sensitivity of ASiNRs. (C) 2017 Elsevier B.V. All rights reserved.
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