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The Raman Spectrum of the CH3NH3PbI3 Hybrid Perovskite: Interplay of Theory and Experiment

Quarti, Claudio, Grancini, Giulia, Mosconi, Edoardo, Bruno, Paola, Ball, James M., Lee, Michael M., Snaith, Henry J., Petrozza, Annamaria, De Angelis, Filippo·2014·The Journal of Physical Chemistry Letters

Abstract

We report the low-frequency resonant Raman spectrum of methylammonium lead-iodide, a prototypical perovskite for solar cells applications, on mesoporous Al2O3. The measured spectrum assignment is assisted by DFT simulations of the Raman spectra of suitable periodic and model systems. The bands at 62 and 94 cm(-1) are assigned respectively to the bending and to the stretching of the Pb-I bonds, and are thus diagnostic modes of the inorganic cage. We also assign the librations of the organic cations at 119 and 154 cm(-1). The broad, unstructured 200-400 cm(-1) features are assigned to the torsional mode of the methylammonium cations, which we propose as a marker of the orientational disorder of the material. Our study provides the basis to interpret the Raman spectra of organohalide perovskites, which may allow one to further understand the properties of this important class of materials in relation to their full exploitation in solar cells.

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Metadata

Authors
Quarti, C., Grancini, G., Mosconi, E., Bruno, P., Ball, J. M., Lee, M. M., Snaith, H. J., Petrozza, A., & De Angelis, F.
Venue
The Journal of Physical Chemistry Letters
Published
2013-12-26
Volume
5
Issue
2
Pages
279-284
ISSN
1948-7185 (ISSN-L)
OpenAlex
W2044423188
Cited by
654
References
1
FWCI
32.55
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: The Raman Spectrum of the CH3NH3PbI3 Hybrid Perovskite: Interplay of Theory and Experiment. https://app.cochat.ai/papers/10.1021/jz402589q
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Quarti, C., Grancini, G., Mosconi, E., Bruno, P., Ball, J. M., Lee, M. M., Snaith, H. J., Petrozza, A., & De Angelis, F. (2014). The Raman Spectrum of the CH3NH3PbI3 Hybrid Perovskite: Interplay of Theory and Experiment. The Journal of Physical Chemistry Letters. https://doi.org/10.1021/jz402589q

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