Safwat A. Mahmoud

First-principles discovery of multifunctional K2NaRhX6 (X = F, Cl, Br, I) halide double perovskites for photovoltaic and photocatalytic applications

Lead-free halide double perovskites have emerged as attractive multifunctional materials for sustainable energy conversion owing to their compositional flexibility and tunable electronic structures. Herein, a comprehensive first-principles investigation combined with SCAPS-1D device simulations is performed to explore...