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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Bibliographic Details
Main Author: Ramos Murillo, Manuel Antonio
Other Authors: Polanco Gonzalez, Javier, Lopez-Galan, Oscar Alberto, José-Yacamán, Miguel
Format: Artículo
Published: 2022
Online Access:https://doi.org/10.3390/ma15196732 -
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