A theoretical investigation of the lead-free double perovskites halides Rb2XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications. - Samah Al-Qaisi; Abdelazim M. Mebed; Muhammad Mushtaq; D. P. Rai; Tahani A. Alrebdi; Rais Ahmad Sheikh; Habib Rached; R. Ahmed; Muhammad Faizan; S. Bouzgarrou; Muhammad Anjum Javed (J. Comput. Chem., 2023)

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)

Structural, electronic, magnetic and thermoelectric properties of Tl2NbX6 (X = Cl, Br) variant perovskites calculated via density functional theory. - Malak Azmat Ali; Aboud Ahmed Awadh Bahajjaj; Samah Al-Qaisi; Mika A. Sillanpää; Afzal Khan; Xiaoyu Wang (J. Comput. Chem., 2023)

Opto-electronic and thermophysical characteristics of A2TlAgF6 (A = Rb, Cs) for green technology applications. - Samah Al-Qaisi; Nazia Iram; Saidi Samah; Afaf Khadr Alqorashi; A. I. Aljameel; Tahani A. Alrebdi; Zeesham Abbas; S. Bouzgarrou; Md. Ferdous Rahman; Ajay Singh Verma (J. Comput. Chem., 2024)