[HTML][HTML] Probing direct bandgap of double perovskites Rb2LiTlX6 (X= Cl, Br) and optoelectronic characteristics for Solar cell applications: DFT calculations

M Manzoor, MW Iqbal, M Imran, NA Noor… - Journal of Materials …, 2022 - Elsevier
A fascinating novelclass of double perovskites materials with interesting optoelectronic and
transport features have been discovered. In the current study, optoelectronics and the …

[HTML][HTML] Study of lead-free double perovskites X2AgBiI6 (X= K, Rb, Cs) for solar cells and thermoelectric applications

Q Mahmood, T Zelai, M Hassan, G Nazir… - Journal of Materials …, 2023 - Elsevier
The double perovskites became appealing over time for solar cells and optoelectronic
applications due to their extraordinary optical and transport properties. Here, we investigate …

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 …

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 …

Tuning of band gap by anions (Cl, Br, I) of double perovskites Rb2AgAsX6 (Cl, Br, I) for solar cells and thermoelectric applications

G Nazir, Q Mahmood, M Hassan, MM Al-Anazy… - Physica …, 2023 - iopscience.iop.org
The high stability, lead free, environment friendly and excellent performance of double
perovskites make them emerging materials for solar cells and thermoelectric generators …

DFT exploration of elastic, optoelectronic, and thermoelectric properties of stable and eco-friendly double perovskites Cs2YAuX6 (X= Cl, Br) for green energy …

A Ayyaz, G Murtaza, M Naeem, A Usman… - Journal of Physics and …, 2024 - Elsevier
In the current investigation, we have implemented first-principles calculations to examine the
structural, elastic, electrical, and optical characteristics of Cs 2 YAuX 6 (X= Cl, Br). The …

Impact of 5d electrons on half metallic ferromagnetism, and thermoelectric properties of Cs2Z (Cl/Br) 6 (Z= Os, Ir) for spintronic applications

Q Mahmood, G Nazir, A Rahim, J Alzahrani… - Materials Chemistry and …, 2022 - Elsevier
Half metallicity is an appealing platform for emerging spintronic applications. The
researchers are focusing to find out the best material for such an application. Here, we …

Study of new double perovskite halides Rb2Ti (Cl/Br) 6 for solar cells and thermoelectric applications

H Albalawi, BU Haq, G Nazir, T Ghrib, NA Kattan… - Materials Today …, 2022 - Elsevier
The electronic, optical, and thermoelectric properties of Rb 2 TiCl 6 and Rb 2 TiBr 6 are
analyzed by density functional theory (DFT). The tolerance factor and phonon dispersion are …

Study of optoelectronic and thermoelectric properties of K2XSbCl6 (X= In, Au) double perovskites for energy conversion devices: A DFT insight

AM Tighezza, M Sajid, M Nawaz, M Manzoor… - Physica B: Condensed …, 2024 - Elsevier
Density functional theory (DFT) method based on first principles calculations are performed
to explore the novel halide perovskites K 2 InSbCl 6 and K 2 AuSbCl 6. This study explores …

Study of new double perovskites Tl2PtX6 (X= Cl, Br, I) for solar cells and thermoelectric applications

M Younas, Q Mahmood, NA Kattan, T Alshahrani… - Physica …, 2022 - iopscience.iop.org
The double perovskite materials are exceptional for energy applications due to their non-
toxic, efficient, and eco-friendly nature. Here, we comprehensively addressed the electronic …