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The effect of oxidation on the electronic properties of penta-graphene: first-principles calculation
Herein, using first-principles calculations, we systematically studied the effect of oxidation on the structural and electronic properties of penta-graphene. We have found that the oxygen atom prefers to adsorb at the center of the C[double bond, length as m-dash]C bond, and the interaction between...
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/PMC9087738/ https://www.ncbi.nlm.nih.gov/pubmed/35547603 http://dx.doi.org/10.1039/c9ra00275h |