In this paper, we report a comprehensive modeling and simulation study of constructing hybrid layered materials by alternately stacking MoS and WSe monolayers. Such hybrid MoS/WSe hetero-multilayers exhibited direct bandgap semiconductor characteristics with bandgap energy (E ) in a range of 0.45-0.
View Article and Find Full Text PDFIn this work, Dirac fermions have been obtained and engineered in one-dimensional (1D) zigzag phosphorus nanotubes (ZPNTs). We have performed a comprehensive first-principles computational study of the electronic properties of ZPNTs with various diameters. The results indicate that as the lattice parameter (L) along the axial direction increases, ZPNTs undergo transitions from metal to semimetal and semimetal to semiconductor, whereas Dirac fermions appear at L ranging from 3.
View Article and Find Full Text PDFTransition metal dichalcogenides (TMDCs), such as MoS2 and WSe2, provide two-dimensional atomic crystals with semiconductor band gap. In this work, we present a design of new mechano-electric generators and sensors based on transition metal dichalcogenide nanoribbon PN junctions and heterojunctions. The mechano-electric conversion was simulated by using a first-principle calculation.
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