Exploring Molecular and Electronic Property Predictions of Reduced Graphene Oxide Nanoflakes via Density Functional Theory

[Image: see text] In this research, we perform a theoretical interpretation of molecular and electronic properties of reduced graphene oxide (rGO) nanoflakes through the density functional theory. Here, two pristine graphene nanoflake systems were passivated by hydrogen atoms at their edges, armchai...

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Detalles Bibliográficos
Autores principales: Gómez, Erica Valencia, Ramírez Guarnizo, Nathalia A., Perea, Jose Dario, López, Alberto Sánchez, Prías-Barragán, Jhon J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8829850/
https://www.ncbi.nlm.nih.gov/pubmed/35155884
http://dx.doi.org/10.1021/acsomega.1c00963

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8829850/
https://www.ncbi.nlm.nih.gov/pubmed/35155884
http://dx.doi.org/10.1021/acsomega.1c00963

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