Publication Date:
2019
Description:
〈p〉Publication date: 16 October 2019〈/p〉
〈p〉〈b〉Source:〈/b〉 Chemical Physics Letters, Volume 733〈/p〉
〈p〉Author(s): Jian Ren, Yanyan Xue, Lin Wang〈/p〉
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〈h5〉Abstract〈/h5〉
〈div〉〈p〉We predict SO〈sub〉2〈/sub〉-sensing performance of Pd, Ag, and Au, Pt -doped MoSe〈sub〉2〈/sub〉 monolayer by the density functional theory (DFT). The results demonstrate that the adsorption of SO〈sub〉2〈/sub〉 gas molecule on the MoSe〈sub〉2〈/sub〉 is energetically favorable, which gives rise to the most stable configurations. Besides, the SO〈sub〉2〈/sub〉 gas molecule are physisorbed on the pristine MoSe〈sub〉2〈/sub〉 monolayer surface due to the weak interface combination, with metal doping, the adsorption energy and chemical adsorption are all enhanced. Most notably, the meatal doped MoSe〈sub〉2〈/sub〉 monolayer might be a good candidate for low-cost, highly active, and stable catalysts and gas sensors, providing an avenue to facilitate the design of high active MoSe〈sub〉2〈/sub〉-based two-dimensional gas sensors.〈/p〉〈/div〉
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〈h5〉Graphical abstract〈/h5〉
〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0009261419306037-ga1.jpg" width="265" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉
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Print ISSN:
0009-2614
Electronic ISSN:
1873-4448
Topics:
Chemistry and Pharmacology
,
Physics
