Database-driven high-throughput study of coating materials for hybrid perovskites

Autor: Seidu, Azimatu, Himanen, Lauri, Li, Jingrui, Rinke, Patrick
Přispěvatelé: Department of Applied Physics, Surfaces and Interfaces at the Nanoscale, Computational Electronic Structure Theory, Aalto-yliopisto, Aalto University
Jazyk: angličtina
Rok vydání: 2019
Předmět:
Popis: openaire: EC/H2020/676580/EU//NoMaD 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.
Databáze: OpenAIRE