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...

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Detalles Bibliográficos
Autores principales: Sahithi, A., Sumithra, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10334708/
https://www.ncbi.nlm.nih.gov/pubmed/37441029
http://dx.doi.org/10.1039/d3ra00624g

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