# Database-driven high-throughput study for hybrid perovskite coating materials

## TL;DR

This study employs a high-throughput screening approach to identify promising inorganic coating materials for hybrid perovskite solar cells from a large database, focusing on properties like band gap, toxicity, solubility, and lattice compatibility.

## Contribution

It introduces a systematic, database-driven method to discover suitable coating materials for perovskites, narrowing down candidates based on multiple desirable properties.

## Key findings

- Identified 93 candidate materials for perovskite coatings.
- Candidates meet criteria such as wide band gaps and non-toxicity.
- Materials show promising compatibility with halide perovskites.

## Abstract

We developed a high-throughput screening scheme to acquire candidate coating materials for hybrid perovskites. From more than 1.8 million entries of an inorganic compound database, we collected 93 binary and ternary materials with promising properties for protectively coating halide-perovskite photoabsorbers in perovskite solar cells. These candidates fulfill a series of criteria, including wide band gaps, abundant and non-toxic elements, water-insoluble, and small lattice mismatch with surface models of halide perovskites.