Study of mechanical, optical, and thermoelectric characteristics of Ba2XMoO6 (X = Zn, Cd) double perovskite for energy harvesting. - Samah Al-Qaisi; Habib Rached; Tahani A. Alrebdi; S. Bouzgarrou; Debidatta Behera; Sanat Kumar Mukherjee; Mohamed Khuili; Mohamed Adam; Ajay Singh Verma; Mohammed Ezzeldien (J. Comput. Chem., 2023)

First principles insight into the study of the structural, stability, and optoelectronic properties of alkali-based single halide perovskite ZSnCl3 (Z = Na/K) materials for photovoltaic applications. - Tesfaye Abebe Geleta; Debidatta Behera; Nabil Bouri; Victor José Ramirez Rivera; Fredy Mamani Gonzalo (J. Comput. Chem., 2024)