Listar por tema "MoS2"
Mostrando ítems 1-2 de 2
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On the Electronic Structure of 2H-MoS2: Correlating DFT Calculations and In-Situ Mechanical Bending on TEM
(2022-09-28)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 ... -
Semimetal transition in curved MoS2/ MoSe2 Van der Waals heterojunction by dispersion‑corrected density functional theory
(2022-10-24)We present a theoretical study for MoS2/MoSe2 Van der Waals heterojunction in the armchair direction, and periodicity in the y-direction, under the mechanical deformation process to explore electronic structure vs. curvature ...