Surface and optical properties of phase-pure silver iodobismuthate nanocrystals

Abstract

<p>The study of surface defects is one of the forefronts of halide perovskite research. In the nanoscale regime, where the surface-to-volume ratio is high, the surface plays a key role in determining the electronic properties of perovskites. Perovskite-inspired silver iodobismuthates are promising photovoltaic absorbers. Herein, we demonstrate the colloidal synthesis of phase pure and highly crystalline AgBiI<sub>4</sub> nanocrystals (NCs). Surface-sensitive spectroscopic techniques reveal the rich surface features of the NCs that enable their impressive long-term environmental and thermal stabilities. Notably, the surface termination and its passivation effects on the electronic properties of AgBiI<sub>4</sub> are investigated. Our atomistic simulations suggest that a bismuth iodide-rich surface, as in the case of AgBiI<sub>4</sub> NCs, does not introduce surface trap states within the band gap region of AgBiI<sub>4</sub>, unlike a silver iodide-rich surface. These findings may encourage the investigation of surfaces of other lead-free perovskite-inspired materials.</p>