Enhanced hydrogen storage performance of graphene nanoflakes doped with Cr atoms: a DFT study

The hydrogen storage performances of novel graphene nanoflakes doped with Cr atoms were systematically investigated using first-principles density functional theory. The calculated results showed that one Cr atom could be successfully doped into the graphene nanoflake with a binding energy of −4.402...

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Detalles Bibliográficos
Autores principales: Xiang, Chunqi, Li, Ao, Yang, Shulin, Lan, Zhigao, Xie, Wei, Tang, Yiming, Xu, Huoxi, Wang, Zhao, Gu, Haoshuang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9070027/
https://www.ncbi.nlm.nih.gov/pubmed/35530093
http://dx.doi.org/10.1039/c9ra04589a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9070027/
https://www.ncbi.nlm.nih.gov/pubmed/35530093
http://dx.doi.org/10.1039/c9ra04589a

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