Comparative study of the micro-mechanism of charge redistribution at metal-semiconductor and semimetal-semiconductor interfaces: Pt (Ni)-MoS2 and Bi-MoS2 …

S Li, J Chen, X He, Y Zheng, C Yu, H Lu - Applied Surface Science, 2023 - Elsevier
The generation of Schottky barrier height (SBH) at the metal–semiconductor junctions (MSJ)
is a hot topic in the area of new two-dimensional (2D) semiconductors. As the charge …

An ab-initio study on structural, elastic, electronic, bonding, thermal, and optical properties of topological Weyl semimetal TaX (X = P, As)

MI Naher, SH Naqib - Scientific Reports, 2021 - nature.com
In recent days, study of topological Weyl semimetals have become an active branch of
physics and materials science because they led to realization of the Weyl fermions and …

Advances in two‐dimensional molybdenum ditelluride (MoTe2): A comprehensive review of properties, preparation methods, and applications

PV Shinde, M Hussain, E Moretti, A Vomiero - SusMat, 2024 - Wiley Online Library
In the past decade, molybdenum ditelluride (MoTe2) has received significant attention from
the scientific community due to its structural features and unique properties originate from …

Origins of heat transport anisotropy in MoTe2 and other bulk van der Waals materials

H Li, T Pandey, Y Jiang, X Gu, L Lindsay… - Materials Today Physics, 2023 - Elsevier
Abstract Knowledge of how heat flows anisotropically in van der Waals (vdW) materials is
crucial for thermal management of emerging 2D materials devices and design of novel …

Modulation of electronic and optical properties of g-CN/XTe2 (X= W, Mo) heterojunctions by biaxial strain

Y Shen, P Yuan, Z Yuan, Z Cui, D Ma, F Cheng… - International Journal of …, 2024 - Elsevier
The electronic and optical properties under biaxial strains, as well as the Gibbs free energy
profiles for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) of the …

[HTML][HTML] DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X= Nb, Ta, Ti)

R Ahmed, M Mahamudujjaman, MA Afzal… - Journal of Materials …, 2023 - Elsevier
Binary metallic carbides belong to technologically prominent class of compounds. Present
work theoretically explores the structural, mechanical, optoelectronic, and some thermal …

[HTML][HTML] First-principles insights into mechanical, optoelectronic, and thermo-physical properties of transition metal dichalcogenides ZrX2 (X= S, Se, and Te)

M Mahamudujjaman, MA Afzal, RS Islam, SH Naqib - AIP Advances, 2022 - pubs.aip.org
Transition metal dichalcogenides (TMDCs) belong to technologically important compounds.
We have explored the structural, elastic, bonding, optoelectronic, and some thermo-physical …

Silver Dielectric material black phosphorus–based surface plasmon resonance biosensor for alcohol detection

V Yesudasu, P Neelaveni, B Bhuvaneswari, S Mukesh… - Plasmonics, 2024 - Springer
This study introduces a novel biosensor utilizing silver (Ag)–dielectric–black phosphorus
(BP) as the foundation to analyze the surface plasmon resonance (SPR) system for alcohol …

[HTML][HTML] A comprehensive study of the thermophysical and optoelectronic properties of Nb2P5 via ab-initio technique

MI Naher, SH Naqib - Results in Physics, 2021 - Elsevier
Binary metallic phosphide, Nb 2 P 5, belongs to important class of materials from the stand
point of engineering applications. Quite surprisingly, a large number of physical properties of …

First-principles study on the structural, electronic, elastic, optical and thermodynamic properties of double antiperovskites X6BiSbN2 (X= Mg, Ca, Sr)

HX Gao, DY Hu, TY Tang, QQ Liang, Q Dai… - Journal of Physics and …, 2024 - Elsevier
The perovskite materials have been widely used because of their excellent properties.
Based on density functional theory, the structural, electronic, elastic, optical and …