The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Self‐Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites
Open accessAbstract
Hybrid halide perovskites such as methylammonium lead iodide (CH 3 NH 3 PbI 3) 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.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Cited by
Nedelcu, G., Protesescu, L., Yakunin, S., Bodnarchuk, M. I., Grotevent, M. J., & Kovalenko, M. V. (2015) · Nano Letters · doi:10.1021/acs.nanolett.5b02404 · Cited by 2,356
Brenner, T. M., Egger, D. A., Kronik, L., Hodes, G., & Cahen, D. (2016) · Nature Reviews Materials · doi:10.1038/natrevmats.2015.7 · Cited by 1,557
Resolving spatial and energetic distributions of trap states in metal halide perovskite solar cells
Ni, Z., Bao, C., Liu, Y., Jiang, Q., Wu, W.-Q., Chen, S., Dai, X., Chen, B., Hartweg, B., Yu, Z., et al. (2020) · Science · doi:10.1126/science.aba0893 · Cited by 1,302
Self-citationAristidou, N., Eames, C., Sanchez-Molina, I., Bu, X., Kosco, J., Islam, M. S., & Haque, S. A. (2017) · Nature Communications · doi:10.1038/ncomms15218 · Cited by 1,298
Fu, Y., Zhu, H., Chen, J., Hautzinger, M. P., Zhu, X.-Y., & Jin, S. (2019) · Nature Reviews Materials · doi:10.1038/s41578-019-0080-9 · Cited by 934
Metadata
- Authors
- Walsh, A., Scanlon, D. O., Chen, S., Gong, X. G., & Wei, S.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2014-12-11
- Volume
- 54
- Issue
- 6
- Pages
- 1791-1794
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2115374632
- Cited by
- 621
- References
- 2
- FWCI
- 19.28
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Walsh, A., Scanlon, D. O., Chen, S., Gong, X. G., & Wei, S. (2015). Self‐Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.201409740
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