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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...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| 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 |