Photocatalytic water splitting to spontaneously produce H2 and O2 is a long-standing goal in
solar energy conversion, presenting a significant challenge without using sacrificial electron …

As an emerging photocatalytic system for the use of solar energy, step-scheme (S-scheme)
heterojunction has demonstrated its high efficiency and prospect in the realms of energy …

The ability to create perovskite-based heterostructures with desirable charge transfer
characteristics represents an important endeavor to render a set of perovskite materials and …

The design of efficient, low-cost, and easily integrable bifunctional electrocatalysts for the
hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) is highly desirable …

Here, we perform a time domain density functional study in conjunction with a non-adiabatic
molecular dynamics (NAMD) simulation to investigate the charge carrier dynamics in a …

Intrinsic direct-gap two-dimensional (2D) materials hold great promise as photocatalysts,
advancing the application of photocatalytic water splitting for hydrogen production. However …

In this article, we constructed an AlN/B 2 SSe heterostructure using B 2 SSe and AlN. Using
first-principles calculations, we calculated the stability, electronic structure, optical …

We find that the PtTe2/Sb2S3 nanoscale heterostructure can drive the direct Z-schemes with
high solar-to-hydrogen efficiency (STHE), although the band alignments of the PtTe2 and …

Numerous photocatalytic hydrogen and oxygen evolution reactions (HER and OER) with
heterostructures are reported but have no practicality because the less sophisticated …

The visible-light-driven hydrogen evolution is extremely important, but the poor charge
transfer capability, a sluggish evolution rate of hydrogen, and severe photo-corrosion make …