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Alkaline earth atom doping-induced changes in the electronic and magnetic properties of graphene: a density functional theory study

Density functional theory was used to investigate the effects of doping alkaline earth metal atoms (beryllium, magnesium, calcium and strontium) on graphene. Electron transfer from the dopant atom to the graphene substrate was observed and was further probed by a combined electron localization funct...

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Detalles Bibliográficos
Autores principales: Serraon, Ace Christian F., Del Rosario, Julie Anne D., Abel Chuang, Po-Ya, Chong, Meng Nan, Morikawa, Yoshitada, Padama, Allan Abraham B., Ocon, Joey D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8694801/
https://www.ncbi.nlm.nih.gov/pubmed/35423162
http://dx.doi.org/10.1039/d0ra08115a