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

Azimatu Seidu; Lauri Himanen; Jingrui Li; Patrick Rinke

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

Applied Physics 2019-03-05 v1

Authors: Azimatu Seidu , Lauri Himanen , Jingrui Li , Patrick Rinke

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.

Keywords

perovskite materials

Cite

@article{arxiv.1903.00898,
  title  = {Database-driven high-throughput study for hybrid perovskite coating materials},
  author = {Azimatu Seidu and Lauri Himanen and Jingrui Li and Patrick Rinke},
  journal= {arXiv preprint arXiv:1903.00898},
  year   = {2019}
}

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