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Structural and electronic properties of organo-halide lead perovskites: a combined IR-spectroscopy and ab initio molecular dynamics investigation
Abstract
We use CPMD simulations and IR spectroscopy to study hybrid perovskites considering their inherent ionic dynamics and the disorder of methylammonium cations.
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Cites
Stranks, S. D., Eperon, G. E., Grancini, G., Menelaou, C., Alcocer, M. J. P., Leijtens, T., Herz, L. M., Petrozza, A., & Snaith, H. J. (2013) · Science · doi:10.1126/science.1243982 · Cited by 10,413
Cited by
Understanding the physical properties of hybrid perovskites for photovoltaic applications
Huang, J., Yuan, Y., Shao, Y., & Yan, Y. (2017) · Nature Reviews Materials · doi:10.1038/natrevmats.2017.42 · Cited by 1,252
Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH3NH3PbI3
Zheng, F., Tan, L. Z., Liu, S., & Rappe, A. M. (2015) · Nano Letters · doi:10.1021/acs.nanolett.5b01854 · Cited by 507
Real-Time Observation of Organic Cation Reorientation in Methylammonium Lead Iodide Perovskites
Bakulin, A. A., Selig, O., Bakker, H. J., Rezus, Y. L. A., Müller, C., Glaser, T., Lovrincic, R., Sun, Z., Chen, Z., Walsh, A., et al. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.5b01555 · Cited by 372
Liu, S., Zheng, F., Koocher, N. Z., Takenaka, H., Wang, F., & Rappe, A. M. (2015) · The Journal of Physical Chemistry Letters · doi:10.1021/jz502666j · Cited by 331
Grancini, G., Marras, S., Prato, M., Giannini, C., Quarti, C., De Angelis, F., De Bastiani, M., Eperon, G. E., Snaith, H. J., Manna, L., et al. (2014) · The Journal of Physical Chemistry Letters · doi:10.1021/jz501877h · Cited by 263
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Metadata
- Authors
- Mosconi, E., Quarti, C., Ivanovska, T., Ruani, G., & De Angelis, F.
- Venue
- Phys. Chem. Chem. Phys.
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2014
- Volume
- 16
- Issue
- 30
- Pages
- 16137-16144
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W1999228708
- Cited by
- 229
- References
- 1
- FWCI
- 22.11
- Type
- journal article
- Language
- en
- Open access
- closed
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- Mosconi, E., Quarti, C., Ivanovska, T., Ruani, G., & De Angelis, F. (2014). Structural and electronic properties of organo-halide lead perovskites: a combined IR-spectroscopy and ab initio molecular dynamics investigation. Phys. Chem. Chem. Phys. https://doi.org/10.1039/c4cp00569d
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