Nadia Ghafoor

First-Principles Investigation of the Optoelectronic Properties, Photocatalytic Activity and Solar Cell Efficiency of Rb 3 Cr 2 X 9 (X= Cl, Br and I) Halide Perovskites

Chromium-based halide perovskites semiconductors Rb 3 Cr 2 X 9 (X = Cl, Br and I) are explored within the frame work of density functional theory (DFT). The optimized structural parameters show consistency with the experimental work and the lattice parameters are systematically increases as with the size of X a...