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Registry-Dependent Potential for Interfaces of Gold with Graphitic Systems
[Image: see text] We present a semi-anisotropic interfacial potential (SAIP) designed to classically describe the interaction between gold and two-dimensional (2D) carbon allotropes such as graphene, fullerenes, or hydrocarbon molecules. The potential is able to accurately reproduce dispersion-corre...
| 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/PMC8582252/ https://www.ncbi.nlm.nih.gov/pubmed/34711058 http://dx.doi.org/10.1021/acs.jctc.1c00622 |