Nanodiodes based on double-walled transition metal dichalcogenide nanotubes: enhancement of current rectification via a moiré superlattice

2026

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DOI 10.1088/2043-6262/ae5538
Data confidence 70 medium
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Abstract

Abstract This work presents a theoretical investigation of the electronic and transport properties of a telescopic nanoelectronic device based on a coaxial double-walled MoS 2 (6, 6)@WS 2 (14, 14) nanotube contacted by metallic carbon nanotubes (13, 13). It is shown that the formation of a van der Waals heterostructure leads to a narrowing of the band gap to approximately 0.75 eV due to interlayer hybridization of d- and p-orbitals and the associated redistribution of electronic charge density. The density-of-states spectra exhibit pronounced one-dimensional van Hove singularities, indicating the quantized nature of the electronic spectrum. Analysis of the transport characteristics reveals the presence of a wide transport gap (∼2.25 eV) and a strong dependence of electron transport on the twist angle between the nanotubes arising from the formation of a moiré superlattice. An increase in the twist angle results in the emergence of additional resonant transport channels and a substantial enhancement of conductivity. The calculated current–voltage characteristics demonstrate pronounced diode-like behavior with threshold turn-on at ∼1.4–1.5 V and maximum conductance at a twist angle of 12.8°. The obtained results highlight the potential of double-walled transition metal dichalcogenide nanotubes as tunable nanodiodes for hybrid nanoelectronic devices.