[HTML][HTML] Effect of pressure on structural, elastic and mechanical properties of cubic perovskites XCoO3 (X= Nd, Pr) from first-principles investigations

A Bakar, AO Alrashdi, MM Fadhali, A Afaq… - Journal of Materials …, 2022 - Elsevier
In this current research article, the structural elasto-mechanical and thermal properties of
cubic perovskites XCoO 3 (X= Nd, Pr) have been studied theoretically under different …

A comprehensive first-principles study on the physical properties of Sr2ScBiO6 for low-cost energy technologies

S Al-Qaisi, H Rached, MA Ali, Z Abbas… - Optical and Quantum …, 2023 - Springer
This paper presents a thorough first-principles investigation of the physical attributes of the
double perovskite (DP) oxide, Sr2ScBiO6. The calculated lattice constant and the bond …

First-principles investigations of the mechanically and thermodynamically stable potassium-based double perovskites K2TlAsX6 (X= Cl, Br) for optoelectronic and …

J Munir, I Mursaleen, HM Ghaithan, Q ul Ain… - Materials Science and …, 2023 - Elsevier
Double perovskites with their significance properties are considered to be promising
candidates for an extensive range of applications. Current research work includes the …

[HTML][HTML] First-principles calculations to investigate mechanical, thermoelectric and optical performance of inorganic double perovskites Rb2AgAlZ6 (Z= Br, I) for energy …

A Mera, T Zelai, SA Rouf, NA Kattan… - Journal of Materials …, 2023 - Elsevier
The clean and green energy is a merging technology of advanced era to achieve the
demands of energy requirements. For this purpose, the double perovskites Rb 2 AgAlZ 6 (Z …

Investigated the structural, optoelectronic, mechanical, and thermoelectric properties of Sr2BTaO6 (B = Sb, Bi) for solar cell applications

M Manzoor, D Bahera, R Sharma… - … Journal of Energy …, 2022 - Wiley Online Library
Density functional theory was used to investigate the unit structure of Sr2BTaO6 (B= Sb, Bi)
double perovskite oxides. The full‐potential linearized augmented plane wave technique is …

The bandgap engineering of double perovskites Cs2CuSbX6 (X= Cl, Br, I) for solar cell and thermoelectric applications

A Mera, G Nazir, Q Mahmood, NA Kattan… - Inorganic Chemistry …, 2023 - Elsevier
Over recent years, the research on lead-free halide double perovskites (DPs)-based
materials has credited attention because of their promising applications in solar cells and …

Tuning of band gap by variation of halide ions in K2CuSbX6 (X= Cl, Br, I) for solar cells and thermoelectric applications

S Al-Qaisi, Q Mahmood, NA Kattan, S Alhassan… - Journal of Physics and …, 2023 - Elsevier
The double perovskites have obtained remarkable attention in the field of solar cells and
renewable energy applications. Here in present article, the optical and transport properties …

Modifying electronic bandgap by halide ions substitution to investigate double perovskites Rb2AgInX6 (X= Cl, Br, I) for solar cells applications and thermoelectric …

NA Kattan, Q Mahmood, G Nazir, A Rehman… - Materials Today …, 2023 - Elsevier
The demand for renewable and clean energy increases the significance of perovskites and
attracts the substantial interest of the scientific community to further explore these materials …

Optoelectronic and thermoelectric properties of novel stable lead-free cubic double perovskites A 2 NaIO 6 (A= Ca, Sr) for renewable energy applications

MA Ali, AA Alothman, M Mushab… - Physical Chemistry …, 2024 - pubs.rsc.org
Over the past decade, perovskites have received considerable attention because of their
record power conversion efficiency (25.7%) in solar cells. These materials have also …

Tuning of band gap by anion variation of double perovskites K2AgInX6 (X= Cl, Br) for solar cells and thermoelectric applications

NA Kattan, SA Rouf, N Sfina, M mana Al-Anazy… - Journal of Solid State …, 2023 - Elsevier
In recent research double perovskites have become the burning topic for solar cells because
of lead free nature, stability, and exceptional performance. Therefore, here we have …