Self‐Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites
University College London · University of Bath · +4 more institutions
Abstract
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…
Citation impact
- FWCI
- 23.42
- Percentile
- 100%
- References
- 30
Authors
5Topics & keywords
- Halide
- Chemical physics
- Ionic bonding
- Crystallographic defect
- Stoichiometry
- Charge carrier
- Semiconductor
- Vacancy defect
- Affordable and clean energy
Funding
- NSNational Science FoundationAwards: DE-AC36-08GO28308, EP/L000202, 61106087
- UDU.S. Department of EnergyAwards: AC36-08GO28308, -AC36-08GO28308, 08GO28308
- NNNational Natural Science Foundation of ChinaAwards: 61106087, EP/L000202, DE-AC36-08GO28308, 91233121
- EAEngineering and Physical Sciences Research CouncilAwards: EP/L000202/1, L000202, EP/M009580/1, EP/L000202/1, EP/K016288/1, EP/L000202, EP/K016288/1, EP/K016288
- NRNational Renewable Energy LaboratoryAwards: AC36-08GO28308, DE-AC36-08GO28308