Edge-Termination and Core-Modification Effects of Hexagonal Nanosheet Graphene

Optimized geometries and electronic structures of two different hexagonal grapheme nanosheets (HGNSs), with armchair (n-A-HGNS, n = 3–11) and zigzag (n-Z-HGNS, n = 1–8) edges have been calculated by using the GGA/PBE method implemented in the SIESTA package, with the DZP basis set, where n represent...

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Detalles Bibliográficos
Autores principales: Deng, Jin-Pei, Chen, Wen-Hao, Chiu, Shou-Po, Lin, Chih-Hsun, Wang, Bo-Cheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271332/
https://www.ncbi.nlm.nih.gov/pubmed/24566308
http://dx.doi.org/10.3390/molecules19022361

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271332/
https://www.ncbi.nlm.nih.gov/pubmed/24566308
http://dx.doi.org/10.3390/molecules19022361

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