Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites

By Aron Walsh, David O. Scanlon, Shiyou Chen, X. Gong, Suhuai Wei. Angewandte Chemie, 2014

616 citations recorded by the source corpus.

Hybrid halide perovskites such as methylammonium lead iodide (CH3NH3PbI3) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of ionic over electronic disorder in stoichiometric materials. Schottky defect formation provides a mechanism to self-regulate the concentration of charge carriers through ionic compensation of charged point defects. The equilibrium charged vacancy concentration is predicted to exceed 0.4 % at room temperature. This behavior, which goes against established defect conventions for inorganic semiconductors, has implications for photovoltaic performance.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/e1dd0d1dcf2e5316478de5070f159604a9fb5380

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Citations in the corpus

• Mobile Ion Concentration Measurement and Open-Access Band Diagram Simulation Platform for Halide Perovskite Solar Cells (2020, background): “14,15,21,24,25 Note that some studies suggest the presence of other types of ions such as MA + , 26,27 or H + , 28 with smaller concentrations ( ( 10 15 cm (cid:1) 3 ).”