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Ab-Initio Study of the Electronic and Magnetic Properties of Boron- and Nitrogen-Doped Penta-Graphene

First-principles calculations were performed to investigate the effects of boron/nitrogen dopant on the geometry, electronic structure and magnetic properties of the penta-graphene system. It was found that the electronic band gap of penta-graphene could be tuned and varied between 1.88 and 2.12 eV...

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Detalles Bibliográficos
Autores principales:	Zhang, Chao, Cao, Yu, Dai, Xing, Ding, Xian-Yong, Chen, Leilei, Li, Bing-Sheng, Wang, Dong-Qi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7221657/ https://www.ncbi.nlm.nih.gov/pubmed/32344620 http://dx.doi.org/10.3390/nano10040816

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