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Tuning the Band Gap in Hybrid Tin Iodide Perovskite Semiconductors Using Structural Templating
Abstract
Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.
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Cited by
Mixed‐Organic‐Cation Perovskite Photovoltaics for Enhanced Solar‐Light Harvesting
Pellet, N., Gao, P., Gregori, G., Yang, T., Nazeeruddin, M. K., Maier, J., & Grätzel, M. (2014) · Angewandte Chemie International Edition · doi:10.1002/anie.201309361 · Cited by 1,306
Li, X., Hoffman, J. M., & Kanatzidis, M. G. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c01006 · Cited by 1,085
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
Perovskite as Light Harvester: A Game Changer in Photovoltaics
Kazim, S., Nazeeruddin, M. K., Grätzel, M., & Ahmad, S. (2014) · Angewandte Chemie International Edition · doi:10.1002/anie.201308719 · Cited by 962
Prasanna, R., Gold-Parker, A., Leijtens, T., Conings, B., Babayigit, A., Boyen, H.-G., Toney, M. F., & McGehee, M. D. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b04981 · Cited by 893
Metadata
- Authors
- Knutson, J. L., Martin, J. D., & Mitzi, D. B.
- Venue
- Inorganic Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2005-05-25
- Volume
- 44
- Issue
- 13
- Pages
- 4699-4705
- ISSN
- 0020-1669 (ISSN-L)
- 1520-510X
- OpenAlex
- W2018697934
- Cited by
- 562
- References
- 0
- FWCI
- 5.72
- Type
- journal article
- Language
- en
- Open access
- closed
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- Knutson, J. L., Martin, J. D., & Mitzi, D. B. (2005). Tuning the Band Gap in Hybrid Tin Iodide Perovskite Semiconductors Using Structural Templating. Inorganic Chemistry. https://doi.org/10.1021/ic050244q
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