The effect of curvature on the band alignment of one-dimensional (1D) van der Waals (vdW)
transition metal dichalcogenide (TMDC) heterostructures is studied by comprehensive first …

We study the influence of mechanical deformations on the Zeeman and Rashba effects in
transition metal dichalcogenide nanotubes and their Janus variants from first principles. In …

A general algorithm based on the line symmetry group theory is proposed for ab initio
modeling of one-dimensional (1D) helical nanoobjects using computer codes designed for …

Density functional theory is employed to investigate the origins of bandgap bowing character
in transition-metal-dichalcogenide ternary alloyed monolayers (TMD-MLs). The available …

With the increasing importance of nanoconfined water in various heterostructures, it is quite
essential to clarify the influence of nanoconfinement on the unique properties of water …

Carbon nanotubes (NTs) are graphene sheets rolled into a 1D material, with a specific
chirality that defines its structure and properties. Graphene has triggered the development of …

Abstract Using Density Functional Theory based on the plane wave method and linearized
augmented cylindrical wave method, and taking into account the spin–orbit interaction, the …

In this work, we study the electronic properties of nanotubes with spin–orbit interaction that
exhibit a spin Hall effect. Nanoribbons made of these materials are expected to have …

One-dimensional single-wall carbon nanotube (1D-SWCNT)@ MoS 2 van der Waals (vdW)
heteronanotubes (HNTs) have inherited extensive attention due to their fascinating …

Carbon nanotubes (NTs) are graphene sheets rolled into a 1D material, with a specific
chirality that defines its structure and properties. Graphene has triggered the development of …