Abstract 2D van der Waals (vdW) heterostructures are receiving increasing research
attention due to the theoretically amazing properties and unprecedented application …

Herein, we systematically examine the electronic, optical and structural properties of two-
dimensional MoSe 2/PtS 2 van der Waals (vdW) heterostructures using the density …

Two-dimensional semiconductors with a layered structure are now among the most
extensively studied materials. The unique structural form of 2D layered semiconductors …

The production of hydrogen through photocatalytic water splitting offers a secure and eco-
friendly approach. In this study, the application of GaTe/SnS 2 heterojunction in the field of …

To tackle the urgent challenges posed by the current energy crisis and environmental
concerns, the potential of photocatalytic water splitting has been recognized as a promising …

In the present work, the effect of biaxial and uniaxial strains on the electronic and optical
properties of heterostructure MoS 2/WS 2 has been studied by density functional theory. Our …

In this work, the electronic and optical properties of monolayer GaTe under biaxial strain and
external electric field were investigated by density functional theory. Our calculated results …

Constructing van der Waals (vdW) heterojunctions via stacking different two-dimensional
materials is an effective approach to obtain desirable properties. By using the first-principles …

Based on first-principles, we conducted an in-depth study of the GeC/InS van der Waals
heterostructure formed by GeC and InS and discussed its structure, electronic properties and …

The photocatalytic hydrogen production through water splitting is an environmentally friendly
method for hydrogen production. By employing the first-principles calculations of density …