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

Aurelien M. A. Leguy, Jarvist Moore Frost, Andrew P. McMahon, Victoria Garcia Sakai, W. Kockelmann, ChunHung Law, Xiaoe Li, Fabrizia Foglia, Aron Walsh, Brian C. O’Regan, Jenny Nelson, João T. Cabral and Piers R. F. Barnes ()
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Aurelien M. A. Leguy: Imperial College London
Jarvist Moore Frost: University of Bath, Claverton Down
Andrew P. McMahon: Imperial College London
Victoria Garcia Sakai: Rutherford Appleton Laboratory, Harwell, Didcot OX11 0QX, UK
W. Kockelmann: Rutherford Appleton Laboratory, Harwell, Didcot OX11 0QX, UK
ChunHung Law: Imperial College London
Xiaoe Li: Imperial College London
Fabrizia Foglia: Imperial College London
Aron Walsh: University of Bath, Claverton Down
Brian C. O’Regan: Imperial College London
Jenny Nelson: Imperial College London
João T. Cabral: Imperial College London
Piers R. F. Barnes: Imperial College London

Nature Communications, 2015, vol. 6, issue 1, 1-11

Abstract: 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 CH3NH3+ ions reorientate between the faces, corners or edges of the pseudo-cubic lattice cages in CH3NH3PbI3 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 CH3NH3+ dipoles realigning within a 3D lattice suggest that the scattering measurements may be explained by the stabilization of CH3NH3+ in either antiferroelectric or ferroelectric domains. Collective realignment of CH3NH3+ 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.

Date: 2015
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Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:6:y:2015:i:1:d:10.1038_ncomms8124

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DOI: 10.1038/ncomms8124

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