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Water wettability of graphene: interplay between the interfacial water structure and the electronic structure
Wetting phenomena are ubiquitous and impact a wide range of applications. Simulations so far have largely relied on classical potentials. Here, we report the development of an approach that combines density-functional theory (DFT)-based calculations with classical wetting theory that allows practica...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9080294/ https://www.ncbi.nlm.nih.gov/pubmed/35540542 http://dx.doi.org/10.1039/c8ra03509a |