2D materials and heterostructures for photocatalytic water-splitting: A theoretical perspective
Photocatalytic water-splitting for hydrogen generation by sunlight provides a new route to
address energy and environmental problems. In recent years, tremendous efforts have been …
address energy and environmental problems. In recent years, tremendous efforts have been …
Structures, properties and applications of two-dimensional metal nitrides: from nitride MXene to other metal nitrides
Abstract The two-dimensional (2D) metal nitrides (MNs), including group IIA nitrides, group
IIIA nitrides, nitride MXene and other transition metal nitrides (TMNs), exhibit unique …
IIIA nitrides, nitride MXene and other transition metal nitrides (TMNs), exhibit unique …
Surface functionalization of penta-siligraphene monolayer for nanoelectronic, optoelectronic and photocatalytic water-splitting: a first-principles study
M Maymoun, S Oukahou, A Elomrani, M Lamhani… - Applied Surface …, 2022 - Elsevier
Herein, we have investigated theoretically using density functional theory the effect of
surface functionalization with hydrogen, fluorine and chlorine atoms on electronic and optic …
surface functionalization with hydrogen, fluorine and chlorine atoms on electronic and optic …
[HTML][HTML] First-principles calculations to investigate stability, electronic and optical properties of fluorinated MoSi2N4 monolayer
Based on first-principles calculations, variations in the stability as well as the electronic and
optical properties of fluorinated MoSi 2 N 4 (MoSi 2 N 4-F x, x= 0–16) were investigated …
optical properties of fluorinated MoSi 2 N 4 (MoSi 2 N 4-F x, x= 0–16) were investigated …
Comparison of the electronic, optical and photocatalytic properties of MoSe2, InN, and MoSe2/InN heterostructure nanosheet-A first-principle study
Recently, investigation on two-dimensional (2D) metal dichalcogenides has attracted
significant attention owing to their impressive electronic structure and optical properties for …
significant attention owing to their impressive electronic structure and optical properties for …
InN/XS 2 (X= Zr, Hf) vdW heterojunctions: promising Z-scheme systems with high hydrogen evolution activity for photocatalytic water splitting
ZN Dai, Y Xu, WJ Yin, JN Wang - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
Z-scheme van der Waals heterojunctions are very attractive photocatalysts attributed to their
excellent reduction and oxidation abilities. In this paper, we designed InN/XS2 (X= Zr, Hf) …
excellent reduction and oxidation abilities. In this paper, we designed InN/XS2 (X= Zr, Hf) …
First-principles study on the electronic structures and magnetic properties of InN monolayer doped with Cr, Fe, and Ni
X Lin, Z Mao, S Dong, X Jian, R Han, P Wu - Physica E: Low-dimensional …, 2021 - Elsevier
The electronic structures and magnetic features of 3d transition metals (TM) Cr-, Fe-, Ni-
doped InN monolayers are studied by using density functional calculations. The results …
doped InN monolayers are studied by using density functional calculations. The results …
Point Defects in Buckled Honeycomb PAs Monolayer: A Systematic Study of Stability, Electronic, and Magnetic Properties
In this work, the effects of point defects on the electronic and magnetic properties of PAs
monolayer are investigated. PAs monolayer is stable in a buckled hexagonal structure …
monolayer are investigated. PAs monolayer is stable in a buckled hexagonal structure …
Highly anisotropic layered selenophosphate AgSbP2Se6: The electronic structure and optical properties by experimental measurements and first-principles …
The Bridgman method was firstly applied for growing high quality layered selenophosphate
AgSbP 2 Se 6 single crystals in practical size. The comparatively high hygroscopicity of …
AgSbP 2 Se 6 single crystals in practical size. The comparatively high hygroscopicity of …
Impact of the deposition temperature on the structural and electrical properties of inn films grown on self-standing diamond substrates by low-temperature ECR …
S Wang, F Qin, Y Bai, D Zhang, J Zhang - Coatings, 2020 - mdpi.com
The progress of InN semiconductors is still in its infancy compared to GaN-based devices
and materials. Herein, InN thin films were grown on self-standing diamond substrates using …
and materials. Herein, InN thin films were grown on self-standing diamond substrates using …