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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| 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 |