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Cited by 647

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The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells

Open access
Leguy, Aurelien M. A., Frost, Jarvist Moore, McMahon, Andrew P., Sakai, Victoria Garcia, Kockelmann, W., Law, ChunHung, Li, Xiaoe, Foglia, Fabrizia, Walsh, Aron, O’Regan, Brian C., Nelson, Jenny, Cabral, João T., Barnes, Piers R. F.·2015·Nature Communications

Abstract

Methylammonium lead iodide perovskite can make high-efficiency solar cells, which also show an unexplained photocurrent hysteresis dependent on the device-poling history. Here we report quasielastic neutron scattering measurements showing that dipolar CH 3 NH 3+ ions reorientate between the faces, corners or edges of the pseudo-cubic lattice cages in CH 3 NH 3 PbI 3 crystals with a room temperature residence time of ∼14 ps. Free rotation, π-flips and ionic diffusion are ruled out within a 1–200-ps time window. Monte Carlo simulations of interacting CH 3 NH 3+ dipoles realigning within a 3D lattice suggest that the scattering measurements may be explained by the stabilization of CH 3 NH 3+ in either antiferroelectric or ferroelectric domains. Collective realignment of CH 3 NH 3+ to screen a device’s built-in potential could reduce photovoltaic performance. However, we estimate the timescale for a domain wall to traverse a typical device to be ∼0.1–1 ms, faster than most observed hysteresis.

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Metadata

Authors
Leguy, A. M. A., Frost, J. M., McMahon, A. P., Sakai, V. G., Kockelmann, W., Law, C., Li, X., Foglia, F., Walsh, A., O’Regan, B. C., Nelson, J., Cabral, J. T., & Barnes, P. R. F.
Venue
Nature Communications
Published
2015-05-29
Volume
6
Issue
1
Pages
7124-7124
ISSN
2041-1723 (ISSN-L)
OpenAlex
W1813223549
Cited by
647
References
2
FWCI
49.88
Type
journal article
Language
en
Open access
gold

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CoChat. (2026). Citation check: The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells. https://app.cochat.ai/papers/10.1038/ncomms8124
The paper
Leguy, A. M. A., Frost, J. M., McMahon, A. P., Sakai, V. G., Kockelmann, W., Law, C., Li, X., Foglia, F., Walsh, A., O’Regan, B. C., Nelson, J., Cabral, J. T., & Barnes, P. R. F. (2015). The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells. Nature Communications. https://doi.org/10.1038/ncomms8124

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