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Adsorption of gas molecules on monolayer MoS(2) and effect of applied electric field

Using first-principles calculations, we investigate the adsorption of various gas molecules (H(2), O(2), H(2)O, NH(3), NO, NO(2), and CO) on monolayer MoS(2). The most stable adsorption configuration, adsorption energy, and charge transfer are obtained. It is shown that all the molecules are weakly...

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Detalhes bibliográficos
Main Authors: Yue, Qu, Shao, Zhengzheng, Chang, Shengli, Li, Jingbo
Formato: Artigo
Idioma:Inglês
Publicado em: Springer 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4015638/
https://ncbi.nlm.nih.gov/pubmed/24134512
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1556-276X-8-425
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