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Elusive Presence of Chloride in Mixed Halide Perovskite Solar Cells
Abstract
The role of chloride in the MAPbI3-xClx perovskite is still limitedly understood, albeit subjected of much debate. Here, we present a combined angle-resolved X-ray photoelectron spectroscopy (AR-XPS) and first-principles DFT modeling to investigate the MAPbI3-xClx/TiO2 interface. AR-XPS analyses carried out on ad hoc designed bilayers of MAPbI3-xClx perovskite deposited onto a flat TiO2 substrate reveal that the chloride is preferentially located in close proximity to the perovskite/TiO2 interface. DFT calculations indicate the preferential location of chloride at the TiO2 interface compared to the bulk perovskite due to an increased chloride-TiO2 surface affinity. Furthermore, our calculations clearly demonstrate an interfacial chloride-induced band bending, creating a directional "electron funnel" that may improve the charge collection efficiency of the device and possibly affecting also recombination pathways. Our findings represent a step forward to the rationalization of the peculiar properties of mixed halide perovskite, allowing one to further address material and device design issues.
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Cited by
Halide Perovskite Photovoltaics: Background, Status, and Future Prospects
Jena, A. K., Kulkarni, A., & Miyasaka, T. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00539 · Cited by 3,087
Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation
Azpiroz, J. M., Mosconi, E., Bisquert, J., & De Angelis, F. (2015) · Energy & Environmental Science · doi:10.1039/c5ee01265a · Cited by 1,644
Self-citationUnder the spotlight: The organic–inorganic hybrid halide perovskite for optoelectronic applications
Chen, Q., De Marco, N., Yang, Y. (., Song, T.-B., Chen, C.-C., Zhao, H., Hong, Z., Zhou, H., & Yang, Y. (2015) · Nano Today · doi:10.1016/j.nantod.2015.04.009 · Cited by 1,154
Progress on Perovskite Materials and Solar Cells with Mixed Cations and Halide Anions
Ono, L. K., Juarez-Perez, E. J., & Qi, Y. (2017) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.7b06001 · Cited by 593
Quarti, C., Mosconi, E., Ball, J. M., D'Innocenzo, V., Tao, C., Pathak, S., Snaith, H. J., Petrozza, A., & De Angelis, F. (2016) · Energy & Environmental Science · doi:10.1039/c5ee02925b · Cited by 521
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Metadata
- Authors
- Colella, S., Mosconi, E., Pellegrino, G., Alberti, A., Guerra, V. L. P., Masi, S., Listorti, A., Rizzo, A., Condorelli, G. G., De Angelis, F., & Gigli, G.
- Venue
- The Journal of Physical Chemistry Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-10-03
- Volume
- 5
- Issue
- 20
- Pages
- 3532-3538
- ISSN
- 1948-7185 (ISSN-L)
- OpenAlex
- W2057090825
- Cited by
- 193
- References
- 0
- FWCI
- 17.33
- Type
- journal article
- Language
- en
- Open access
- closed
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- Colella, S., Mosconi, E., Pellegrino, G., Alberti, A., Guerra, V. L. P., Masi, S., Listorti, A., Rizzo, A., Condorelli, G. G., De Angelis, F., & Gigli, G. (2014). Elusive Presence of Chloride in Mixed Halide Perovskite Solar Cells. The Journal of Physical Chemistry Letters. https://doi.org/10.1021/jz501869f
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