Hydrogen Adsorption on Nearly Zigzag-Edged Nanoribbons: A Density Functional Theory Study

The realistic shapes of N doped graphene nanoribbons (GNRs) can be realized by considering nearly zigzag-edged (NZE) imperfections and pyridine defects (3NV). The paper focuses on NZE-GNRs with 3NV that is populated by Scandium abbreviated as Sc/NZE-3NVGNRs. Systematic calculations have clarified ro...

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Detalles Bibliográficos
Autores principales: Mananghaya, Michael Rivera, Santos, Gil Nonato, Yu, Dennis, Stampfl, Catherine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5691176/
https://www.ncbi.nlm.nih.gov/pubmed/29146977
http://dx.doi.org/10.1038/s41598-017-14189-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5691176/
https://www.ncbi.nlm.nih.gov/pubmed/29146977
http://dx.doi.org/10.1038/s41598-017-14189-z

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