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Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles
Open accessAbstract
The performance of perovskite solar cells recently exceeded 15% solar-to-electricity conversion efficiency for small-area devices. The fundamental properties of the active absorber layers, hybrid organic-inorganic perovskites formed from mixing metal and organic halides [e.g., (NH4)PbI3 and (CH3NH3)PbI3], are largely unknown. The materials are semiconductors with direct band gaps at the boundary of the first Brillouin zone. The calculated dielectric constants and band gaps show an orientation dependence, with a low barrier for rotation of the organic cations. Due to the electric dipole of the methylammonium cation, a photoferroic effect may be accessible, which could enhance carrier collection.
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Cites
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Cited by
High-efficiency two-dimensional Ruddlesden–Popper perovskite solar cells
Tsai, H., Nie, W., Blancon, J.-C., Stoumpos, C. C., Asadpour, R., Harutyunyan, B., Neukirch, A. J., Verduzco, R., Crochet, J. J., Tretiak, S., et al. (2016) · Nature · doi:10.1038/nature18306 · Cited by 3,384
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
Steric engineering of metal-halide perovskites with tunable optical band gaps
Filip, M. R., Eperon, G. E., Snaith, H. J., & Giustino, F. (2014) · Nature Communications · doi:10.1038/ncomms6757 · Cited by 1,081
Tress, W. (2017) · Advanced Energy Materials · doi:10.1002/aenm.201602358 · Cited by 601
Almora, O., Zarazua, I., Mas-Marza, E., Mora-Sero, I., Bisquert, J., & Garcia-Belmonte, G. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b00480 · Cited by 503
Metadata
- Authors
- Brivio, F., Walker, A. B., & Walsh, A.
- Venue
- APL Materials
- Publisher
- AIP Publishing
- Published
- 2013-10-01
- Volume
- 1
- Issue
- 4
- ISSN
- 2166-532X (ISSN-L)
- OpenAlex
- W2033191340
- Cited by
- 636
- References
- 2
- FWCI
- 38.14
- Type
- journal article
- Language
- en
- Open access
- gold
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- Brivio, F., Walker, A. B., & Walsh, A. (2013). Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles. APL Materials. https://doi.org/10.1063/1.4824147
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