Stable photocatalysts with excellent optical adsorption and low reaction barrier are the key
for the water splitting. Here, we find that a two-dimensional Janus WSSe monolayer …

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) …

To construct efficient solar-driven devices, considerable efforts have been made to search
for desirable photocatalysts for water splitting. Motivated by recent successful syntheses of …

Accurately described excitonic properties of transition metal dichalcogenide heterobilayers
(HBLs) are crucial to comprehend the optical response and the charge carrier dynamics of …

In this study, based on first-principles calculation, the structural, electronic, interfacial, and
optical properties of two-dimensional (2D) semiconductor vertical heterostructure …

van der Waals (vdW) bilayers have many attractive novel properties that offer an ideal
platform for various electronic and optoelectronic applications. However, due to the strong …

MXenes, transition metal carbides and nitrides, are a bourgeoning class of two-dimensional
(2D) materials due to their tunable electronic and magnetic structures, rich surface chemistry …

Stacking two-dimensional materials into a heterostructure, which is also known as van der
Waals epitaxy, is an effective method to tune the properties of pristine monolayer structures …

van der Waals heterostructures can be effectively used to enhance the electronic and optical
properties and extend the application range of two-dimensional materials. Here, we …

Efficient water-splitting photocatalysts are pivotal in enhancing solar energy utilization to its
maximum potential. Using first-principles calculations, the current study systematically …