The polymorphism of phosphorus-based materials has garnered much research interest,
and the variable chemical bonding structures give rise to a variety of micro and …

Photocatalytic water splitting can produce hydrogen in an environmentally friendly way and
provide alternative energy sources to reduce global carbon emissions. Recently, monolayer …

Two-dimensional materials are in the forefront of material research due to their attractive
electronic properties that can be employed for a wide range of applications. In last decades …

In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS 2
heterostructure are studied via first-principles calculations. The stability of the vertically …

Constructing van der Waals heterostructures can enhance two-dimensional (2D) materials
with desired properties and greatly extend the applications of the original materials. On the …

Two-dimensional van der Waals (vdW) heterostructures were constructed using MoSSe and
XN (X= Ga, Al) via density functional calculations to serve as water splitting photocatalysts …

Abstract Recently, two-dimensional (2D) materials have attracted considerable focus
because of their charming properties. Using 2D heterostructure as a photocatalyst for water …

Abstracts Constructing van der Waals heterostructure has triggered enormous interest in the
field of photocatalytic water splitting. Herein, we have investigated the structural, electronic …

We performed first-principles calculations of the structural, electronic, and optical properties
of heterostructures which consist of transition metal dichalcogenides MX2 (M= Mo, W; X= S) …

Building novel van der Waals (vdW) heterostructures is a feasible method to expand
material properties and applications. A MoSi 2 N 4/blue phosphorus (BlueP) heterostructure …