首页|Robust type-I band alignment in ZnS nanowire/MoTe2 nanotube van der Waals heterostructures
Robust type-I band alignment in ZnS nanowire/MoTe2 nanotube van der Waals heterostructures
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NSTL
Elsevier
This work utilizes the density functional theory approach to evaluate the electronic structures of ZnS nanowire/MoTe2 nanotube (ZnSNW/MoTeNT) one-dimensional (1D) van der Waals heterostructures (vdWhs) under axial strain. It is demonstrated that the ZnSNW/MoTeNT 1D vdWhs with different diameters have robust type-I band alignment (BA). Furthermore, it is discovered that type-I BA is robust under axial strain ranging from -5% to 5%. Besides, the axial strain of 3% leads to the ZnSNW/MoTeNT 1D vdWhs transitions from indirect bandgap semiconductor to direct bandgap semiconductor. According to the mentioned findings, the ZnSNW/MoTeNT 1D vdWhs have robust type-I BA even under axial strain.
van der Waals heterostructuresElectronic structuresAxial strainFirst-principles calculationsELECTRONIC-PROPERTIESMOTE2 NANOTUBESPHOTOLUMINESCENCEWURTZITE
NSTL
Elsevier
