Engineering 2D materials for photocatalytic water-splitting from a theoretical perspective
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 …
community for producing clean energy, thus requiring novel semiconductor materials to …
Emerging black phosphorus analogue nanomaterials for high-performance device applications
In recent years, layered black phosphorus (BP) nanostructures have demonstrated great
potential applications in transistors, optoelectronics and logic devices due to their excellent …
potential applications in transistors, optoelectronics and logic devices due to their excellent …
PdSeO3 Monolayer: Promising Inorganic 2D Photocatalyst for Direct Overall Water Splitting Without Using Sacrificial Reagents and Cocatalysts
Direct production of H2 from photocatalytic water splitting is a potential solution to
environmental pollution and energy crisis, and tremendous efforts have been made to seek …
environmental pollution and energy crisis, and tremendous efforts have been made to seek …
qvasp: A flexible toolkit for VASP users in materials simulations
We have developed a flexible toolkit, named qvasp (quickly use vienna ab-initio simulation
package), to assist users to prepare input files and process output files for Vienna Ab-initio …
package), to assist users to prepare input files and process output files for Vienna Ab-initio …
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 …
Optical properties and photocatalytic applications of two-dimensional Janus group-III monochalcogenides
Photocatalytic water splitting has received much attention for the production of renewable
hydrogen from water, and two-dimensional (2D) materials show great potential for use as …
hydrogen from water, and two-dimensional (2D) materials show great potential for use as …
Solution‐processed GaSe nanoflake‐based films for photoelectrochemical water splitting and photoelectrochemical‐type photodetectors
Gallium selenide (GaSe) is a layered compound, which has been exploited in nonlinear
optical applications and photodetectors due to its anisotropic structure and pseudodirect …
optical applications and photodetectors due to its anisotropic structure and pseudodirect …
Two-dimensional gallium sulfide nanoflakes for UV-selective photoelectrochemical-type photodetectors
Two-dimensional (2D) transition-metal monochalcogenides have been recently predicted to
be potential photo (electro) catalysts for water splitting and photoelectrochemical (PEC) …
be potential photo (electro) catalysts for water splitting and photoelectrochemical (PEC) …
High-Throughput computational screening and machine learning modeling of janus 2D III–VI van der waals heterostructures for solar energy applications
Two-dimensional Janus III–VI monolayers and corresponding van der Waals (vdW)
heterostructures present immense application potential in the solar energy conversion …
heterostructures present immense application potential in the solar energy conversion …
Two-dimensional few-layer group-III metal monochalcogenides as effective photocatalysts for overall water splitting in the visible range
Using first-principles calculations, the photocatalytic performances of two dimensional (2D)
few-layer group-III metal monochalcogenides MXs (M= Ga, In; X= S, Se) towards overall …
few-layer group-III metal monochalcogenides MXs (M= Ga, In; X= S, Se) towards overall …