ListarPublicaciones por tema "LUMO"
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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 ...