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Tuning the Electronic Properties of Graphane via Hydroxylation: An Ab Initio Study
[Image: see text] The thermodynamic stability of hydroxylated graphane, that is, fully sp(3) graphene derivatives coordinated with −H and −OH groups, has been recently demonstrated by ab initio calculations. Within the density functional theory approach, we investigate the electronic property modifi...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8397341/ https://www.ncbi.nlm.nih.gov/pubmed/34476036 http://dx.doi.org/10.1021/acs.jpcc.1c04397 |