An-Long Kuang

Lead-free perovskites using divalent superatom ions with tunable electronic structures and high efficiency

Lead halide perovskites with the ABX3 formula are limited by their small B-site ions, which hinder the incorporation of large ions into their three-dimensional BX3 frame. Through high-throughput computational screening based on first-principle calculations and stringent structural constraints, we identified two promisi...