Facile synthesis of 2-D rGO based SmSe nanohybrid via hydrothermal route for solid-state supercapacitor
M Hayat, M Abdullah, K Jabbour, N Bibi, S Khan… - Materials Chemistry and …, 2023 - Elsevier
Electrode materials based on transition metal selenide have lately gained much favor in
electrochemical supercapacitor owing to their outstanding capacitive performance …
electrochemical supercapacitor owing to their outstanding capacitive performance …
Structural, phonon, thermodynamic, and electronic properties of MgFeH3 at different pressures: DFT study
HH Raza, G Murtaza, M Shafiq - Computational and Theoretical Chemistry, 2023 - Elsevier
The main objective of this work is to improve the kinetic properties and desorption
temperature of MgFeH 3 by applying different pressures with the help of the WIEN2k code …
temperature of MgFeH 3 by applying different pressures with the help of the WIEN2k code …
First-Principles Calculations to Investigate Structural, Electronic, Optical and Magnetic Properties of Pyrochlore Oxides Eu2Tm2O7 (Tm = Hf, Sn, Zr) for Energy …
Three newly designed pyrochlore oxides, Eu2Tm2O7 (Tm= Hf, Sn, Zr), are analyzed for their
magnetic, optical and electronic properties using ab-initio calculations within the context of …
magnetic, optical and electronic properties using ab-initio calculations within the context of …
First principles quantum analysis of structural, electronic, optical and thermoelectric properties of XCu2GeQ4 (X = Ba, Sr and Q = S, Se) for energy applications
Cu-based chalcogenide materials have attracted a great deal of attention due to their
promising optoelectronic properties. The density functional theory (DFT) framework is used …
promising optoelectronic properties. The density functional theory (DFT) framework is used …
A First-Principles Investigation on the Structural, Optoelectronic, and Thermoelectric Properties of Pyrochlore Oxides (La2Tm2O7 (Tm = Hf, Zr)) for Energy …
A first-principles calculation based on DFT investigations on the structural, optoelectronic,
and thermoelectric characteristics of the newly designed pyrochlore oxides La2Tm2O7 (Tm …
and thermoelectric characteristics of the newly designed pyrochlore oxides La2Tm2O7 (Tm …
First-principles quantum analysis of structural, optoelectronic, and thermophysical properties of Co/Ni doped ceria Ce1− xTmxO2 (Tm= Co, Ni) for solar cell …
The properties of CeO 2 thin films, such as their memory store capabilities, visual
transparency, chemical and thermal durability, adjustable energy band topologies, and high …
transparency, chemical and thermal durability, adjustable energy band topologies, and high …
Exploring the impact of hydrostatic pressure on the essential physical properties of BaTiO3 perovskite: A first principles quantum investigation and prospects for …
This research investigates how externally applied hydrostatic pressure ranging from 0 to 100
GPa impacts the cubic BaTiO 3 perovskite compound through computational simulations …
GPa impacts the cubic BaTiO 3 perovskite compound through computational simulations …
First principles study to investigate structural, optical properties and bandgap engineering of XSnI3(X=Rb, K, Tl, Cs) materials for solar cell applications
Abstract The PBE-GGA (Perdew Burke-Ernzerhof Generalized Gradient Approximation) for
the exchange-correlation potentials, based on first-principles density functional theory (DFT) …
the exchange-correlation potentials, based on first-principles density functional theory (DFT) …
Promising Perovskite Solar Cell Candidates: Enhanced Optoelectronic Properties of XSrI3 Perovskite Materials under Hydrostatic Pressure
B Farhadi, D Zheng, L Liu, J Liu, H Zhang… - Small …, 2024 - Wiley Online Library
Density‐functional theory (DFT) has proven to be invaluable for investigating the physical
properties of perovskite materials under varying pressure conditions to uncover potential …
properties of perovskite materials under varying pressure conditions to uncover potential …
Scrutinizing the structural, opto-electronic, mechanical, and thermoelectric properties of semiconductor lead-free double perovskites A2AgMoBr6 (A = K, Rb, Cs)
D Abdullah, DC Gupta - Optical and Quantum Electronics, 2023 - Springer
The structural, optical, electronic, and transport properties of A2AgMoBr6 (A= K, Rb, Cs)
have been examined using first-principles calculations in the present study. The measured …
have been examined using first-principles calculations in the present study. The measured …