Maleeha Shafiq

Exploring structural, thermodynamic, elastic, electro-optic, and thermoelectric characteristics of double perovskites Rb2XInBr6 (X = Na, K) for photovoltaic applications: A DFT approach

Ahmad Ayyaz, G. Murtaza, Maleeha Shafiq et al. · Solar Energy · 2023 · 144 citations

Materials Science, Engineering, Double Perovskites Rb2xinbr6 +11

Structural, phonon, thermodynamic, and electronic properties of MgFeH3 at different pressures: DFT study

Hafiz Hamid Raza, G. Murtaza, Maleeha Shafiq · Computational and Theoretical Chemistry · 2023 · 49 citations

Materials Science, Different Pressures, Multiferroics +10

Effect of position occupancy of different elements on the structural stability, optoelectronic, thermoelectric and elastic properties of Cs2CuAsX6 (X: Cl, Br, I) halide double perovskite: DFT analysis

Midhun Shah, Maleeha Shafiq, Azhar Naeem et al. · Materials Science in Semiconductor Processing · 2024 · 41 citations

Materials Science, Transition Metal Chalcogenides, Engineering +11

First-principles calculations on structural, mechanical and thermodynamic properties of orthorhombic Mg2BeTMH8 (TM=Ni, Cu and zn) for hydrogen storage applications

Hafiz Hamid Raza, G. Murtaza, Maleeha Shafiq et al. · International Journal of Hydrogen Energy · 2024 · 22 citations

Materials Science, Materials Engineering, Hydrogen Storage Applications +8

A DFT investigation on halide double perovskites X2ScTlI6 (X= Rb, Cs) for thermoelectric and optoelectronic applications

Hafeez Ur Rehman, Muhammad Mahadi Abdul Jamil, Ning Wang et al. · Materials Today Communications · 2024 · 21 citations

Materials Science, Engineering, Perovskite Solar Cell +13