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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...
Autores principales: | Ouyang, Wengen, Sofer, Reut, Gao, Xiang, Hermann, Jan, Tkatchenko, Alexandre, Kronik, Leeor, Urbakh, Michael, Hod, Oded |
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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/PMC8592503/ https://www.ncbi.nlm.nih.gov/pubmed/34719931 http://dx.doi.org/10.1021/acs.jctc.1c00782 |
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