Photocatalytic technology is a novel approach that harnesses solar energy for efficient
energy conversion and effective pollution abatement, representing a rapidly advancing field …

This paper employs first-principles methods to compute the stability, electrical properties,
and optical properties of the GaN/Sc 2 CF 2 heterostructure and investigates its photoelectric …

This paper utilizes density functional theory to investigate the structural stability, electronic,
optical properties, and photogalvanic effect of the AlN/Hf 2 CO 2 heterojunction. The high …

Using non-metals to replace the rare or precious transition metals as active component in
catalyst in electrocatalysts is highly desirable in renewable energy applications. The diverse …

S-scheme heterojunctions are commonly applied in optoelectronic devices and
photocatalytic materials to achieve effective charge separation and enhance photocatalytic …

The construction of lateral heterostructures (LHSs) has the potential to adjust the electrical
properties and current-illumination characteristics through interfacial interactions, providing …

In this paper, the structure and electronic properties of InP/PtS 2 heterojunction as well as
the photocatalytic and solar hydrogen production efficiency are studied by first principles …

At present, the research community focuses on elemental monolayer materials due to their
exceptional stability, selectivity, and sensitivity towards various toxic air pollutants. Since the …

Very recently, the two-dimensional (2D) structure of poly-benzimidazobenzophenanthroline
(C5N) has been effectively synthesized [Javeed Mahmood et al., Adv. Mater. 2021, 33 …

In recent years, van der Waals heterostructures have played a significant role in fields such
as photocatalysis, quantum devices, sensors, etc., due to their excellent performance …