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Aromatic molecules on low-index coinage metal surfaces: Many-body dispersion effects

Understanding the binding mechanism for aromatic molecules on transition-metal surfaces in atomic scale is a major challenge in designing functional interfaces for to (opto)electronic devices. Here, we employ the state-of-the-art many-body dispersion (MBD) approach, coupled with density functional t...

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Detalles Bibliográficos
Autores principales: Jiang, Yingda, Yang, Sha, Li, Shuang, Liu, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5177956/
https://www.ncbi.nlm.nih.gov/pubmed/28004793
http://dx.doi.org/10.1038/srep39529

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