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On the Consistency of the Exfoliation Free Energy of Graphenes by Molecular Simulations
Monolayer graphene is now produced at significant yields, by liquid phase exfoliation of graphites in solvents. This has increased the interest in molecular simulation studies to give new insights in the field. We use decoupling simulations to compute the exfoliation free energy of graphenes in a li...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8347420/ https://www.ncbi.nlm.nih.gov/pubmed/34361058 http://dx.doi.org/10.3390/ijms22158291 |