DOI: 10.1002/anie.201409740. Self‐Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites

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

10.1002/anie.201409740

Crossref journal-article

Wiley

Angewandte Chemie International Edition (311)

Abstract

AbstractHybrid 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.

Bibliography

Walsh, A., Scanlon, D. O., Chen, S., Gong, X. G., & Wei, S. (2014). SelfâRegulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites. Angewandte Chemie International Edition, 54(6), 1791â1794. Portico.

Authors 5

Aron Walsh (first)
David O. Scanlon (additional)
Shiyou Chen (additional)
X. G. Gong (additional)
Su‐Huai Wei (additional)

References 30 Referenced 534

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Dates

Type	When
Created	10 years, 8 months ago (Dec. 11, 2014, 11:48 a.m.)
Deposited	1 year, 10 months ago (Oct. 16, 2023, 2:37 p.m.)
Indexed	1 week, 4 days ago (Aug. 23, 2025, 9:33 p.m.)
Issued	10 years, 8 months ago (Dec. 11, 2014)
Published	10 years, 8 months ago (Dec. 11, 2014)
Published Online	10 years, 8 months ago (Dec. 11, 2014)
Published Print	10 years, 7 months ago (Feb. 2, 2015)

Funders 0

None

BibTeX

@article{Walsh_2014, title={Self‐Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites}, volume={54}, ISSN={1521-3773}, url={http://dx.doi.org/10.1002/anie.201409740}, DOI={10.1002/anie.201409740}, number={6}, journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Walsh, Aron and Scanlon, David O. and Chen, Shiyou and Gong, X. G. and Wei, Su‐Huai}, year={2014}, month=dec, pages={1791–1794} }

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