Prediction of new 2D Hf2Br2N2 monolayer as a promising candidate for photovoltaic applications
AOM Almayyali, HR Jappor - Materials Chemistry and Physics, 2023 - Elsevier
In the present work, the structural and optoelectronic properties of pristine and strained
hexagonal Hf 2 Br 2 N 2 monolayer have been investigated using the first-principles …
hexagonal Hf 2 Br 2 N 2 monolayer have been investigated using the first-principles …
Intriguing type-II g-GeC/AlN bilayer heterostructure for photocatalytic water decomposition and hydrogen production
Abstract Adapting two-dimensional (2D) van der Walls bilayer heterostructure is an efficient
technique for realizing fascinating properties and playing a key role in solar energy-driven …
technique for realizing fascinating properties and playing a key role in solar energy-driven …
Stacking impact on the optical and electronic properties of two-dimensional MoSe2/PtS2 heterostructures formed by PtS2 and MoSe2 monolayers
Herein, we systematically examine the electronic, optical and structural properties of two-
dimensional MoSe 2/PtS 2 van der Waals (vdW) heterostructures using the density …
dimensional MoSe 2/PtS 2 van der Waals (vdW) heterostructures using the density …
Robust ferromagnetism in two-dimensional GeC/CrN heterobilayers
We have investigated the electronic and finite temperature magnetic properties of
germanium carbide (GeC) and ferromagnetic chromium nitride (CrN) heterobilayers by …
germanium carbide (GeC) and ferromagnetic chromium nitride (CrN) heterobilayers by …
Ab initio study of hydrogen storage on metal-decorated GeC monolayers
Bidimensional nanostructures have been proposed as hydrogen-storage systems owing to
their large surface-to-volume ratios. Germanium carbide monolayers (GeC-MLs) can offer …
their large surface-to-volume ratios. Germanium carbide monolayers (GeC-MLs) can offer …
First-principles study on the electronic properties of GeC/BSe van der Waals heterostructure: A direct Z-scheme photocatalyst for overall water splitting
X Huang, Z Cui, X Shu, H Dong, Y Weng, Y Wang… - Physical Review …, 2022 - APS
Constructing two-dimensional (2D) van der Waals (vdW) heterostructures is a promising
strategy to improve the photocatalytic efficiency of a single 2D material and has attracted …
strategy to improve the photocatalytic efficiency of a single 2D material and has attracted …
First-principles study on GeC/β-AsP heterostructure with type-II band alignment for photocatalytic water splitting
Y Mao, C Qin, X Zhou, Z Zhang, J Yuan - Applied Surface Science, 2023 - Elsevier
Based on first-principles calculations, the stacking, electronic and optical properties of
GeC/β-AsP heterostructure have been explored. It is found that the GeC/β-AsP …
GeC/β-AsP heterostructure have been explored. It is found that the GeC/β-AsP …
Structural, electronic and mechanical properties of a novel graphenylene-like structure based on GeC
In recent years, several atomically thin two-dimensional (2D) materials have been reported
with remarkable properties that prospect them as potential structures for nanotechnological …
with remarkable properties that prospect them as potential structures for nanotechnological …
Theoretical study on electronic, magnetic and optical properties of non-metal atoms adsorbed onto germanium carbide
L Zhang, Z Cui - Nanomaterials, 2022 - mdpi.com
Nine kinds of non-metal atoms adsorbed into germanium carbide (NM-GeC) systems
wereare investigated by first-principles calculations. The results show that the most stable …
wereare investigated by first-principles calculations. The results show that the most stable …
[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 …