A precise prediction of structure stability and hydrogen storage capability of KCdH3 perovskite hydride using density functional theory calculations
Perovskite hydrides materials are acknowledged for hydrogen storage due to their high
capacity, reversibility, thermodynamic stability, tunable nature, and potential low-cost …
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 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 …
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 …
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
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 …
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
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 …
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 …
(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 …
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 …
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 …
their distinctive optical, electronic, and structural characteristics. This computational study …
Phase transition and magneto-caloric properties of perovskites Pr0. 55Sr0. 45MnO3: Modeling versus experiments
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 …
the magnetization decreases with increasing temperature T and undergoes a very sharp …