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

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