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Adsorption of singlet and triplet oxygen on B-doped graphene: adsorption and electronic characteristics
The density functional calculations of electronic and structural properties of the adsorption of dioxygen on boron-doped graphene surfaces are conducted using spin-polarized density functional theory methods, including van der Waals correction. The results show significant differences in the adsorpt...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10334708/ https://www.ncbi.nlm.nih.gov/pubmed/37441029 http://dx.doi.org/10.1039/d3ra00624g |