Anisotropy in colossal piezoelectricity, giant Rashba effect and ultrahigh carrier mobility in Janus structures of quintuple Bi2X3 (X= S, Se) monolayers

N Tripathy, A De Sarkar - Journal of Physics: Condensed Matter, 2023 - iopscience.iop.org
Due to the asymmetric structures, two-dimensional Janus materials have gained significant
attention in research for their intriguing piezoelectric and spintronic properties. In the present …

Structural, optoelectronic and photocatalytic properties of MX (M= Ga, In; X= S, Se, Te) contact with novel janus GaInS3 monolayers

SH Gul, B Ali, M Shafiq, M Idrees, B Amin - Journal of Solid State Chemistry, 2023 - Elsevier
Using DFT calculations, we have fabricated the MX-GaInS 3 (M= Ga, In; X= S, Se, Te) van
dar Waals Heterostructures (vdWHs) and systematically calculated the structural, electronic …

XSnS 3 (X= Ga, In) monolayer semiconductors as photo-catalysts for water splitting: a first principles study

M Naseri, DR Salahub, TV Vu… - Journal of Materials …, 2022 - pubs.rsc.org
Considering the growth of global population, energy requirements and industrialization, and
acceleration of the global warming issue, finding new clean energy resources is necessary …

[HTML][HTML] Derivative Ga2S3 monolayers as water-splitting photocatalysts: enhanced solar to hydrogen conversion for reduced dipole

LL Liu, DF Li, RF Tang, MX Tang, XY Zhang, ML Liu… - Results in Physics, 2023 - Elsevier
The intrinsic dipole inside two-dimensional (2D) materials is always expected to enhance
solar water splitting, while atomic replacement is a widely applied approach to designing …

Electronic band structure, mechanical and optical characteristics of new lead-free halide perovskites for solar cell applications based on DFT computation

Y Nassah, A Benmakhlouf, L Hadjeris… - Bulletin of Materials …, 2023 - Springer
Recently, photovoltaic solar cells have been revolutionized by adopting ABX3 halide
perovskite materials as photoabsorbers. In the recent past, lead halide perovskites have …

Single-Layer GaInSe3: Promising Water-Splitting Photocatalyst with Solar Conversion Efficiency over 30% from Theoretical Calculations

LL Liu, RF Tang, DF Li, MX Tang, BZ Mu, ZQ Hu… - Molecules, 2023 - mdpi.com
Hydrogen energy from solar water-splitting is known as an ideal method with which to
address the energy crisis and global environmental pollution. Herein, the first-principles …

[HTML][HTML] Single-layer GaInO3: Promising material for optoelectronic and out-of-plane piezoelectric devices

L Hu, YF Sun, J Cheng, X Qin, XY Yang, S Wu… - Results in Physics, 2023 - Elsevier
Abstract Two-dimensional (2D) semiconductors with intrinsic dipole show glorious prospects
in the fields of nanoelectronics. Herein, the possible applications of single-layer GaInO 3 in …

Single-layer GaInS3: Water-splitting photocatalyst with high solar conversion efficiency and long carrier lifetime from first-principles investigation

Z Long, Y Xiang, GZ Zhang, X Qin, S Wu… - International Journal of …, 2024 - Elsevier
Abstract Two-dimensional (2D) materials with a high solar to hydrogen (STH) conversion are
in high demand due to the escalating energy crisis and environmental degradation. The …

Prediction of Band Inversion in Janus In2XYZ (X, Y, and Z= S, Se, Te) monolayers

A Rajabi-Maram, SB Touski, N Hasani… - Physical Chemistry …, 2024 - pubs.rsc.org
In this work, the electronic and spin characteristics of Janus In2X2Y and In2XYZ (X, Y, and
Z= S, Se, Te) monolayers are explored. The two sides of these Janus compounds have …

[HTML][HTML] Thermoelectric properties and thermal transport in two-dimensional GaInSe3 and GaInTe3 monolayers: A first-principles study

H Nautiyal, P Scardi - Journal of Applied Physics, 2024 - pubs.aip.org
We here report the electronic structure calculation of GaInSe 3 and GaInTe 3 monolayers
with the P3m1 (no. 156) space group. The electronic structure and thermoelectric properties …