Adsorption Characteristics of Gas Molecules Adsorbed on Graphene Doped with Mn: A First Principle Study

Herein, the adsorption characteristics of graphene substrates modified through a combined single manganese atom with a vacancy or four nitrogen to CH(2)O, H(2)S and HCN, are thoroughly investigated via the density functional theory (DFT) method. The adsorption structural, electronic structures, magn...

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Detalles Bibliográficos
Autores principales: Xie, Tingyue, Wang, Ping, Tian, Cuifeng, Zhao, Guozheng, Jia, Jianfeng, He, Chaozheng, Zhao, Chenxu, Wu, Haishun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000528/
https://www.ncbi.nlm.nih.gov/pubmed/35408715
http://dx.doi.org/10.3390/molecules27072315

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000528/
https://www.ncbi.nlm.nih.gov/pubmed/35408715
http://dx.doi.org/10.3390/molecules27072315

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