Ab Initio Investigation of Lead-Free A 2 AlAgX 6 (A = Cs, Rb; X = F, Cl, Br) Double Perovskites for Photocatalytic and Optoelectronic Applications
The growing demand for sustainable energy technologies has accelerated the search for highefficiency, low-cost, and environmentally benign photovoltaic materials. In this work, a comprehensive first-principles density functional theory (DFT) investigation is performed on leadfree double halide perovskites A 2 AlAgX...