Design high performance field-effect, strain/gas sensors of novel 2D penta-like Pd2P2SeX (X= O, S, Te) pin-junction nanodevices: A study of transport properties

X Dong, T Chen, G Zhou - Journal of Alloys and Compounds, 2024‏ - Elsevier
In the realm of modern nanodevices, attaining high-switching performance and fulfilling
sensing detection functions in high-precision environments are of paramount importance …

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 …

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 …

Puckered penta-like PdPX (X= O, S, Te) semiconducting nanosheets: first-principles study of the mechanical, electro-optical, and photocatalytic properties

A Bafekry, MM Fadlallah, M Faraji… - … Applied Materials & …, 2022‏ - ACS Publications
The atomic, electronic, optical, and mechanical properties of penta-like two-dimensional
PdPX (X= O, S, Te) nanosheets have been systematically investigated using density …

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 …

Photocatalytic properties of anisotropic β-PtX 2 (X= S, Se) and Janus β-PtSSe monolayers

P Jamdagni, A Kumar, S Srivastava… - Physical Chemistry …, 2022‏ - pubs.rsc.org
The highly efficient photocatalytic water splitting process to produce clean energy requires
novel semiconductor materials to achieve a high solar-to-hydrogen energy conversion …

High-performance photocatalytic and piezoelectric properties of two-dimensional transition metal oxyhalide and their Janus structures

Q Yang, D Wang, ZY Zeng, HY Geng, XR Chen - Physical Review B, 2024‏ - APS
As an emerging type of two-dimensional (2D) family, transition metal oxyhalides with the
chemical formula MOX 2 have been studied in recent years. Inspired by the successful …

[HTML][HTML] First principles calculations investigation of optoelectronic properties and photocatalytic CO2 reduction of (MoSi2N4) 5-n/(MoSiGeN4) n in-plane …

N Mwankemwa, HE Wang, T Zhu, Q Fan, F Zhang… - Results in Physics, 2022‏ - Elsevier
Abstract In-plane (MoSi 2 N 4) 5-n/(MoSiGeN 4) n heterostructures have been delicately
designed and systematically studied using first-principles density functional theory …

Collaborative activation mechanism in double transition metal MXenes anode: An effective method to improve the capacitance of sodium ion battery

M Zhou, Y Shen, JJ Liu, LL Lv, Y Zhang, X Meng… - Vacuum, 2023‏ - Elsevier
Through theoretical calculations, it is found that anode materials with double transition metal
terminals (VNbC, VTaC, and NbTaC) exhibit better performance than their single metallic …

Electronic and optical properties of two-dimensional III2-VI3 materials with the FE-WZ′ structure

X Meng, Y Shen, J Liu, L Lv, M Zhou, X Yang… - Applied Surface …, 2023‏ - Elsevier
Based on the first-principles calculations, we have investigated the mechanical, phonon,
electronic and optical properties of two-dimensional (2D) In 2 Te 3 (FE-WZ′ phase) family …