PbBi2Se4 monolayer: a new 2D material with outstanding electronic, photocatalytic, and optical properties

AOM Almayyali, HR Jappor - Solid State Sciences, 2024 - Elsevier
Abstract Two-dimensional layered PbBi 2 Se 4 nanosheets were recently successfully
produced [Chatterjee et al., Phys. Chem. Chem. Phys., 2014, 16, 14,635–14639]. Inspired by …

Surface modification of XSe (X= Cu and Ag) monolayers by grope 1 elements: A metal to semiconductor transition by a first-principles perspective

A Bafekry, M Faraji, SH Khan, MM Fadlallah… - Scientific Reports, 2024 - nature.com
Abstract Two-dimensional (2D) materials can be effectively functionalized by chemically
modified using do**. Very recently, a flat AgSe monolayer was successfully prepared …

High hydrogen production in two-dimensional GaTe/ZnI2 type-II heterostructure for water splitting

AOM Almayyali, HR Jappor, HO Muhsen - Journal of Physics and …, 2023 - Elsevier
In this work, first-principles calculation was used to systematically examine the structural,
electronic, and optical properties of the GaTe/ZnI 2 heterostructure under the biaxial strain …

Tunable optoelectronic, thermoelectric, and photocatalytic properties of β-SiTe and SiH monolayers as a photocatalytic water-splitting

SA Essaa, HR Jappor - Optical and Quantum Electronics, 2024 - Springer
One of the most interesting study areas in the renewable energy production is highly efficient
water splitting that relies on the solar energy. More promising photocatalysts which can …

From indirect to direct and back: Band gap evolution in strained Z-type AlN/B2SSe heterostructures for water splitting

D Fan, M Yin, F Wang, Z Wang, H Li, H Hu… - International Journal of …, 2024 - Elsevier
In this article, we constructed an AlN/B 2 SSe heterostructure using B 2 SSe and AlN. Using
first-principles calculations, we calculated the stability, electronic structure, optical …

Switch effect on controlled water splitting by biaxial strain regulating the promising two-dimensional Janus X 2 PAs (X= Si, Ge and Sn) photocatalyst

QW He, Y Wu, CH Yang, HN Zhang, DS Tang, X Shang… - Nanoscale, 2023 - pubs.rsc.org
Two-dimensional photocatalytic materials with unique properties have been well-reported in
recent decades. However, strategies for controlling the photocatalytic process are still …

Electric field tunable electronic structures and ultrahigh power conversion efficiency of BC6N/MoSe2 van der Waals heterostructure: A promising material for high …

Y **e, NN Jiang, W Han, SF Wang, LY Chen… - Journal of Physics and …, 2024 - Elsevier
Abstract A novel BC 6 N/MoSe 2 van der Waals heterostructure (vdWH) was fabricated by
stacking monolayer BC 6 N onto monolayer MoSe 2. The structural stability, electronic …

Electronic structure and carrier mobility of BC6N/BN van der Waals heterostructure induced by in-plane strains

N Jiang, Y **e, S Wang, Y Song, L Chen, W Han… - Applied Surface …, 2023 - Elsevier
Abstract A novel BC 6 N/BN van der Waals heterostructure is fabricated by stacking a
semiconducting BC 6 N sheet on a hexagonal BN monolayer. Employing first-principles …

Optimizing thermoelectric performance of carbon-doped h-BN monolayers through tuning carrier concentrations and magnetic field

S Behzad, R Chegel - Scientific Reports, 2023 - nature.com
The thermoelectric properties of carbon-doped monolayer hexagonal boron nitride (h-BN)
are studied using a tight-binding model employing Green function approach and the Kubo …

Pressure induced structural, electronic and optical properties of Sc2CBr2 MXene monolayer: a density functional approach

N Modi, Y Naik, SJ Khengar, DB Shah… - … and Theoretical Chemistry, 2024 - Elsevier
Current study theoretically examines the pressure induced structural stability, modulation in
bandgap, optical properties and work function of Sc 2 CBr 2 monolayer. The phonon …