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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...

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Detalles Bibliográficos
Autores principales:	Li, Lin, Jin, Kaixuan, Du, Chunyan, Liu, Xiaojie
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/PMC9087738/ https://www.ncbi.nlm.nih.gov/pubmed/35547603 http://dx.doi.org/10.1039/c9ra00275h

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