Formaldehyde Molecules Adsorption on Zn Doped Monolayer MoS(2): A First-Principles Calculation

Based on the first principles of density functional theory, the adsorption behavior of H(2)CO on original monolayer MoS(2) and Zn doped monolayer MoS(2) was studied. The results show that the adsorption of H(2)CO on the original monolayer MoS(2) is very weak, and the electronic structure of the subs...

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Опубликовано в: :Front Chem
Главные авторы: Li, Huili, Fu, Ling, He, Chaozheng, Huo, Jinrong, Yang, Houyong, Xie, Tingyue, Zhao, Guozheng, Dong, Guohui
Формат: Artigo
Язык:Inglês
Опубликовано: Frontiers Media S.A. 2021
Предметы:
Chemistry
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC8085485/
https://ncbi.nlm.nih.gov/pubmed/33937181
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2020.605311
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