Splitting of water with the help of photocatalysts has gained a strong interest in the scientific
community for producing clean energy, thus requiring novel semiconductor materials to …

Modern‐day society requires advanced technologies based on renewable and sustainable
energy resources to face the challenges regarding environmental remediation. Solar …

Using evolutionary search and first-principles methods, we predict new two-dimensional XN
(X= C, Si, Ge, Sn) monolayers. They are confirmed to be indirect-gap semiconductors and …

Constructing heterostructure is a feasible way to look for powerful photocatalysts for water
decomposition. Here, the monolayers GaN and InS are selected to construct the …

Photocatalytic water splitting, a process aimed at hydrogen production, is considered a
pivotal clean energy sources to achieve environmental friendliness and high energy …

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 …

The Z-scheme heterostructure photocatalysts have irreplaceable advantages over other
heterostructures due to their ability to separate the spatial carriers and retain strong redox …

The research on hydrogen evolution through photocatalytic water splitting has received
considerable attention owing to its environmental friendliness. Calculations reveal that PtSe …

We theoretically propose a types of Janus monolayers SiPN and SiXY (X= As, Sb; Y= P, As)
with high stability, suitable band structures and outstanding light absorption for …

The structural stability, electronic structure and optical property of the monolayers SiH, GaSe
and InSe as well as constructed SiH/GaSe and SiH/InSe heterojunctions are investigated …