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Chalcogenide Perovskites for Photovoltaics
Abstract
Chalcogenide perovskites are proposed for photovoltaic applications. The predicted band gaps of CaTiS3, BaZrS3, CaZrSe3, and CaHfSe3 with the distorted perovskite structure are within the optimal range for making single-junction solar cells. The predicted optical absorption properties of these materials are superior compared with other high-efficiency solar-cell materials. Possible replacement of the alkaline-earth cations by molecular cations, e.g., (NH3NH3)(2+), as in the organic-inorganic halide perovskites (e.g., CH3NH3PbI3), are also proposed and found to be stable. The chalcogenide perovskites provide promising candidates for addressing the challenging issues regarding halide perovskites such as instability in the presence of moisture and containing the toxic element Pb.
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Cites
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Kim, H.-S., Lee, C.-R., Im, J.-H., Lee, K.-B., Moehl, T., Marchioro, A., Moon, S.-J., Humphry-Baker, R., Yum, J.-H., Moser, J. E., et al. (2012) · Scientific Reports · doi:10.1038/srep00591 · Cited by 8,092
Cited by
Progress on lead-free metal halide perovskites for photovoltaic applications: a review
Hoefler, S. F., Trimmel, G., & Rath, T. (2017) · Monatshefte für Chemie - Chemical Monthly · doi:10.1007/s00706-017-1933-9 · Cited by 614
Thermodynamic Stability Trend of Cubic Perovskites
Sun, Q., & Yin, W.-J. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b09379 · Cited by 377
Körbel, S., Marques, M. A. L., & Botti, S. (2016) · Journal of Materials Chemistry C · doi:10.1039/c5tc04172d · Cited by 351
Computational Screening of Homovalent Lead Substitution in Organic–Inorganic Halide Perovskites
Filip, M. R., & Giustino, F. (2016) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b11845 · Cited by 283
Metadata
- Authors
- Sun, Y.-Y., Agiorgousis, M. L., Zhang, P., & Zhang, S.
- Venue
- Nano Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-01-02
- Volume
- 15
- Issue
- 1
- Pages
- 581-585
- ISSN
- 1530-6984 (ISSN-L)
- 1530-6992
- OpenAlex
- W2312714268
- Cited by
- 449
- References
- 2
- FWCI
- 6.72
- Type
- journal article
- Language
- en
- Open access
- closed
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