Study of the molybdenum dichalcogenide crystals: recent developments and novelty of the P-MoS
DFT-D2 and DFPT calculations
Electrical and vibrational properties
Energy sustaining 2D materials
First principle band structure
Metal and semiconductor
Quantum Espresso and BoltzTraP code
Thermoelectric properties and specific heat of crystal
Transition metal dichalcogenides MoS2 crystals
Journal
Journal of molecular modeling
ISSN: 0948-5023
Titre abrégé: J Mol Model
Pays: Germany
ID NLM: 9806569
Informations de publication
Date de publication:
28 Aug 2021
28 Aug 2021
Historique:
received:
19
05
2021
accepted:
04
08
2021
entrez:
29
8
2021
pubmed:
30
8
2021
medline:
30
8
2021
Statut:
epublish
Résumé
Nontoxicity and economic production have turned some of the molybdenum disulfide (MoS
Identifiants
pubmed: 34455502
doi: 10.1007/s00894-021-04871-5
pii: 10.1007/s00894-021-04871-5
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
268Informations de copyright
© 2021. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.
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