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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Bibliografische gegevens
Hoofdauteur:	Ramos Murillo, Manuel Antonio
Andere auteurs:	Polanco Gonzalez, Javier, Lopez-Galan, Oscar Alberto, José-Yacamán, Miguel
Formaat:	Artículo
Taal:	en_US
Gepubliceerd in:	2022
Onderwerpen:	MoS2 Band Structure Isosurface DFT HOMO LUMO info:eu-repo/classification/cti/1
Online toegang:	https://doi.org/10.3390/ma15196732 - https://www.mdpi.com/1996-1944/15/19/6732
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On the Electronic Structure of 2H-MoS2: Correlating DFT Calculations and In-Situ Mechanical Bending on TEM

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