Anisotropic Interlayer Force Field for Transition Metal Dichalcogenides: The Case of Molybdenum Disulfide

[Image: see text] An anisotropic interlayer force field that describes the interlayer interactions in molybdenum disulfide (MoS(2)) is presented. The force field is benchmarked against density functional theory calculations for both bilayer and bulk systems within the Heyd–Scuseria–Ernzerhof hybrid...

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Detalles Bibliográficos
Autores principales: Ouyang, Wengen, Sofer, Reut, Gao, Xiang, Hermann, Jan, Tkatchenko, Alexandre, Kronik, Leeor, Urbakh, Michael, Hod, Oded
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8592503/
https://www.ncbi.nlm.nih.gov/pubmed/34719931
http://dx.doi.org/10.1021/acs.jctc.1c00782

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8592503/
https://www.ncbi.nlm.nih.gov/pubmed/34719931
http://dx.doi.org/10.1021/acs.jctc.1c00782

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