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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Detalles Bibliográficos
Autores principales: Yue, Qu, Shao, Zhengzheng, Chang, Shengli, Li, Jingbo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer 2013
Materias:
Nano Express
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4015638/
https://www.ncbi.nlm.nih.gov/pubmed/24134512
http://dx.doi.org/10.1186/1556-276X-8-425

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4015638/
https://www.ncbi.nlm.nih.gov/pubmed/24134512
http://dx.doi.org/10.1186/1556-276X-8-425

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