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...

Cur síos iomlán

Sábháilte in:

Sonraí bibleagrafaíochta
Príomhchruthaitheoir:	Ramos Murillo, Manuel Antonio
Rannpháirtithe:	Polanco Gonzalez, Javier, Lopez-Galan, Oscar Alberto, José-Yacamán, Miguel
Formáid:	Artículo
Teanga:	en_US
Foilsithe / Cruthaithe:	2022
Ábhair:	MoS2 Band Structure Isosurface DFT HOMO LUMO info:eu-repo/classification/cti/1
Rochtain ar líne:	https://doi.org/10.3390/ma15196732 - https://www.mdpi.com/1996-1944/15/19/6732
Clibeanna:	Cuir clib leis Níl clibeanna ann, Bí ar an gcéad duine le clib a chur leis an taifead seo!

Bí ar an gcéad duine le trácht a dhéanamh!

On the Electronic Structure of 2H-MoS2: Correlating DFT Calculations and In-Situ Mechanical Bending on TEM

Míreanna comhchosúla