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


Journal

Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704

Informations de publication

Date de publication:
09 Nov 2021
Historique:
pubmed: 2 11 2021
medline: 2 11 2021
entrez: 1 11 2021
Statut: ppublish

Résumé

An anisotropic interlayer force field that describes the interlayer interactions in molybdenum disulfide (MoS

Identifiants

pubmed: 34719931
doi: 10.1021/acs.jctc.1c00782
pmc: PMC8592503
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

7237-7245

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Auteurs

Wengen Ouyang (W)

Department of Engineering Mechanics, School of Civil Engineering, Wuhan University, Wuhan, Hubei 430072, China.

Reut Sofer (R)

School of Chemistry and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel.

Xiang Gao (X)

School of Chemistry and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel.

Jan Hermann (J)

Machine Learning Group, TU Berlin, Marchstr. 23, 10587 Berlin, Germany.
Department of Mathematics, FU Berlin, Arnimallee 14, 14195 Berlin, Germany.

Alexandre Tkatchenko (A)

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Leeor Kronik (L)

Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Rehovoth 76100, Israel.

Michael Urbakh (M)

School of Chemistry and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel.

Oded Hod (O)

School of Chemistry and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel.

Classifications MeSH