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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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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5691176/ https://ncbi.nlm.nih.gov/pubmed/29146977 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-14189-z |
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