期刊
CHEMICAL PHYSICS LETTERS
卷 755, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.cplett.2020.137819
关键词
Bismuthene; Adsorption; Benzyl alcohol; Methyldecalin; Energy gap
资金
- Nano Mission Council Department of Science & Technology, India [SR/NM/NS-1011/2017(G)]
In the present research, beta-bismuthene nanosheet (beta-BiNS) is used as a base substrate to adsorb two volatile organic vapors evolved from sewer headspace, namely, benzyl alcohol (BA), and 2-methyldecalin (MD). Initially, the structural firmness of beta-BiNS is established using cohesive formation energy and observed to be stable. The surface adsorption of BA and MD molecules on beta-BiNS are explored with regard to the density of states, energy gap variation, adsorption energy, and charge transfer. Besides, beta-BiNS exhibits chemi-resistive behavior upon adsorption and desorption of BA and MD vapors, which indicates its use as chemosensor towards toxic vapors evolved from sewer headspace.
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