M. al-Anazy

Comprehensive insights into thermodynamic stability, optoelectronic properties, thermoelectric properties, and photocatalytic hydrogen evolution potential of halide double perovskites Rb2TlAlX6 (X = Cl, Br, I): first-principles and AIMD approach

Rubidium (Rb)-based halide double perovskites (HDPs) possessing tunable optoelectronic features have emerged as promising substances for optoelectronic, thermoelectric, and photocatalytic hydrogen production technologies. In the present work, Rb2TlAlX6 (X = Cl, Br, and I) HDPs are reported using a first-principles appr...