Photocatalytic water-splitting for hydrogen generation by sunlight provides a new route to
address energy and environmental problems. In recent years, tremendous efforts have been …

Recent advances in two-dimensional (2D) materials have led to the renewed interest in
intercalation as a powerful fabrication and processing tool. Intercalation is an effective …

Based on first-principles calculations, we systematically investigate the electronic and
optical properties of van der Waals (vdW) heterostructures composed of graphene-like …

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 …

The adsorption behaviors of gas molecules, including CO, NH 3, NO, and NO 2 on pristine
and defective g-GaN, and their adsorption energy, charge transfer, and magnetic moment …

The photocatalytic efficiency of monolayer materials can be greatly improved by constructing
two-dimensional van der Waals heterostructures. In this work, the electronic properties and …

The structural, electronic and optical properties of the two-dimensional (2D) heterostructure
of ZnO/GeC are calculated using hybrid density functional theory. The results suggest that …

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 …

Hydrogen generation by photocatalytic water splitting has attained more and more research
interests in the recent years since the solar energy can be directly transferred and stored as …