A precise prediction of structure stability and hydrogen storage capability of KCdH3 perovskite hydride using density functional theory calculations

Q Ain, HT Naeem, M Ali, J Munir, Z Bibi… - Journal of Energy …, 2024 - Elsevier
Perovskite hydrides materials are acknowledged for hydrogen storage due to their high
capacity, reversibility, thermodynamic stability, tunable nature, and potential low-cost …

Examining the electronic, structural, optical, and photovoltaic capabilities of Sr3AsBr3 perovskite under tensile and compressive strains with DFT and SCAPS-1D

A Ghosh, NL Dey, NS Awwad, AKM Yahia… - Surfaces and …, 2024 - Elsevier
A significant amount of interest in the field of solar energy has recently been generated by
the remarkable optical, structural, and electronic attributes of inorganic perovskite-based …

Gadolinium oxyorthogermanate Gd2GeO5: An efficient solid refrigerant material for magnetic cryocoolers

ZW Yang, S Qin, J Zhang, D Lu, H Zhao, C Kang… - Materials Today …, 2022 - Elsevier
We report here the magnetic interactions, magnetocaloric effect and thermodynamic
parameters of an efficient magnetic refrigerant material, Gd 2 GeO 5, through magnetization …

Engineering the optoelectronic and thermoelectric properties of Cs2BiAgY6 (Y= Br or Cl) double perovskites through doping with Iodine: a DFT study

B Akenoun, S Dahbi, N Tahiri, O El Bounagui… - Journal of Physics and …, 2024 - Elsevier
First-principles calculations are used to study the optoelectronic and thermoelectric
properties of Cs 2 BiAgY 6-x I x (where Y= Br or Cl, and x= 0.0, x= 0.15 or x= 0.3) materials …

Incorporating perovskites in photovoltaic-powered electrochemical cells for a sustainable future: An inclusive review

M Awais, Y Abghoui - Solar Energy, 2024 - Elsevier
Due to the escalating demand for energy across all sectors, traditional energy sources are
proving insufficient to meet our requirements. Moreover, their extensive use is exacerbating …

Theoretical investigations of electronic structure and optical properties of S, Se or Te doped perovskite ATiO3 (A= Ca, Ba, and Sr) materials for eco-friendly solar cells

B Mouhib, S Dahbi, A Douayar, N Tahiri… - Micro and …, 2022 - Elsevier
Structural, electronic, and optical properties of undoped and chalcogens doped ATiO 3
(A​=​ Ca, Ba, and Sr) materials are studied using Density Functional Theory and Local …

DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

A Nazir, EA Khera, M Manzoor, K Althubeiti… - Inorganic Chemistry …, 2024 - Elsevier
Due to their outstanding structural, optical, electronic, and thermoelectric qualities, inorganic
perovskite compounds have attained a lot of consideration in the solar technology industry …

Earth-abundant nontoxic ternary calcium nitrides inverse perovskites for single-junction solar cells: Ab-initio simulations

S Dahbi, N Tahiri, O El Bounagui… - Materials Science in …, 2022 - Elsevier
A single-junction solar cell with a direct and ideal photovoltaic forbidden bandgap value
which maximizes the photon absorbed is needed for the diversity of solar energy …

Investigating the structural, electronic, optical, and mechanical properties of the novel perovskite Mg3NX3 (X= F, Cl, Br, I) to harness solar brilliance

MNH Toki, A Irfan, MAI Islam, L Marasamy… - Optics & Laser …, 2025 - Elsevier
Inorganic perovskites have emerged as promising candidates in solar technology due to
their distinctive optical, electronic, and structural characteristics. This computational study …

Phase transition and magneto-caloric properties of perovskites Pr0. 55Sr0. 45MnO3: Modeling versus experiments

Y Essouda, HT Diep, M Ellouze - Physica A: Statistical Mechanics and its …, 2024 - Elsevier
Experimental data obtained with the perovskite compounds Pr 0.55 Sr 0.45 MnO 3 show that
the magnetization decreases with increasing temperature T and undergoes a very sharp …