On the Electronic Structure of 2H-MoS(2): Correlating DFT Calculations and In-Situ Mechanical Bending on TEM

We present a systematic density functional theory study to determine the electronic structure of bending 2H-MoS(2) layers up to 75° using information from in-situ nanoindentation TEM observations. The results from HOMO/LUMO and density of states plots indicate a metallic transition from the typical...

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Detalles Bibliográficos
Autores principales: Ramos, Manuel, López-Galán, Oscar A., Polanco, Javier, José-Yacamán, Miguel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9571706/
https://www.ncbi.nlm.nih.gov/pubmed/36234076
http://dx.doi.org/10.3390/ma15196732

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9571706/
https://www.ncbi.nlm.nih.gov/pubmed/36234076
http://dx.doi.org/10.3390/ma15196732

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