On the Electronic Structure of 2H-MoS2: 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-MoS2 layers up to 75deg 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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| 格式: | Artículo |
| 语言: | en_US |
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2022
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| 在线阅读: | https://doi.org/10.3390/ma15196732 - https://www.mdpi.com/1996-1944/15/19/6732 |
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