Electronic properties and low lattice thermal conductivity (κ(l)) of mono-layer (ML) MoS(2): FP-LAPW incorporated with spin–orbit coupling (SOC)

This paper focuses on the electronic and thermoelectric properties of monolayer MoS(2). Here, we have examined the structure of MoS(2), in which the hole in the center of the hexagonal cage is considered as a void atom, termed 1H-MoS(2). Density functional theory (DFT) employing the generalized grad...

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Detalles Bibliográficos
Autores principales: Rai, D. P., Vu, Tuan V., Laref, Amel, Hossain, Md. Anwar, Haque, Enamul, Ahmad, Sohail, Khenata, R., Thapa, R. K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9053865/
https://www.ncbi.nlm.nih.gov/pubmed/35518316
http://dx.doi.org/10.1039/d0ra02585b

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