2D materials and heterostructures for photocatalytic water-splitting: A theoretical perspective
A type-II GaSe/HfS2 van der Waals heterostructure as promising photocatalyst with high carrier mobility
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 …
heterostructure are studied via first-principles calculations. The stability of the vertically …
Two-dimensional borocarbonitrides for photocatalysis and photovoltaics
We have designed two-dimensional borocarbonitrides (poly-butadiene-cyclooctatetraene
framework BC2N) with hexagonal unit cells, which are stable according to the cohesive …
framework BC2N) with hexagonal unit cells, which are stable according to the cohesive …
The excellent electrocatalytic HER activity and photogalvanic effect of WS2/Ga2O3 based on Density Functional Theory
Z Cui, H Wang, Y Shen, K Qin, P Yuan, E Li - International Journal of …, 2024 - Elsevier
This study is based on density functional theory, studied structure and electronic properties,
optical properties, electrocatalytic water splitting to produce H 2, and electrical properties of …
optical properties, electrocatalytic water splitting to produce H 2, and electrical properties of …
Design of a direct Z-scheme GeC/arsenene van der Waals heterostructure as highly efficient photocatalysts for water splitting
ZB Qiang, Y Zhang, JX Ding, KX **e… - International Journal of …, 2024 - Elsevier
The utilization of heterostructures as photocatalysts for water decomposition is a promising
method to tackle contemporary environmental challenges. This research paper presents the …
method to tackle contemporary environmental challenges. This research paper presents the …
DFT investigation on direct Z-scheme photocatalyst for overall water splitting: MoTe2/BAs van der Waals heterostructure
M Cao, L Ni, Z Wang, J Liu, Y Tian, Y Zhang… - Applied Surface …, 2021 - Elsevier
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 …
two-dimensional van der Waals heterostructures. In this work, the electronic properties and …
Pd4S3Se3, Pd4S3Te3, and Pd4Se3Te3: Candidate Two-Dimensional Janus Materials for Photocatalytic Water Splitting
The anisotropic Janus materials Pd4S3Se3, Pd4S3Te3, and Pd4Se3Te3 are demonstrated
to be stable based on the cohesive energy, the phonon spectrum, and ab initio molecular …
to be stable based on the cohesive energy, the phonon spectrum, and ab initio molecular …