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. Kochelmann, Chunhung Law, Xiaoe Li, Fabrizia Foglia, Aron Walsh, Brian C. O'Regan, Jenny Nelson, João T. Cabral, Piers R.F. Barnes

Research output: Contribution to journalArticle

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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 â 1/414â €‰ps. Free rotation, Ï €-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 â 1/40.1-1â €‰ms, faster than most observed hysteresis.

Original languageEnglish
Article number7124
JournalNature communications
Volume6
DOIs
Publication statusPublished - 2015 May 29

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Hysteresis
solar cells
methylidyne
Equipment and Supplies
Domain walls
Iodides
Neutron scattering
Photocurrents
Ferroelectric materials
Solar cells
ions
Stabilization
Neutrons
Scattering
Ions
Crystals
hysteresis
ionic diffusion
History
cubic lattices

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)
  • Physics and Astronomy(all)

Cite this

Leguy, A. M. A., Frost, J. M., McMahon, A. P., Sakai, V. G., Kochelmann, W., Law, C., ... Barnes, P. R. F. (2015). The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells. Nature communications, 6, [7124]. https://doi.org/10.1038/ncomms8124
Leguy, Aurelien M.A. ; Frost, Jarvist Moore ; McMahon, Andrew P. ; Sakai, Victoria Garcia ; Kochelmann, W. ; Law, Chunhung ; Li, Xiaoe ; Foglia, Fabrizia ; Walsh, Aron ; O'Regan, Brian C. ; Nelson, Jenny ; Cabral, João T. ; Barnes, Piers R.F. / The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells. In: Nature communications. 2015 ; Vol. 6.
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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 {\^a} 1/414{\^a} €‰ps. Free rotation, {\"I} €-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 {\^a} 1/40.1-1{\^a} €‰ms, faster than most observed hysteresis.",
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Leguy, AMA, Frost, JM, McMahon, AP, Sakai, VG, Kochelmann, W, Law, C, Li, X, Foglia, F, Walsh, A, O'Regan, BC, Nelson, J, Cabral, JT & Barnes, PRF 2015, 'The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells', Nature communications, vol. 6, 7124. https://doi.org/10.1038/ncomms8124

The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells. / Leguy, Aurelien M.A.; Frost, Jarvist Moore; McMahon, Andrew P.; Sakai, Victoria Garcia; Kochelmann, W.; Law, Chunhung; Li, Xiaoe; Foglia, Fabrizia; Walsh, Aron; O'Regan, Brian C.; Nelson, Jenny; Cabral, João T.; Barnes, Piers R.F.

In: Nature communications, Vol. 6, 7124, 29.05.2015.

Research output: Contribution to journalArticle

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T1 - The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells

AU - Leguy, Aurelien M.A.

AU - Frost, Jarvist Moore

AU - McMahon, Andrew P.

AU - Sakai, Victoria Garcia

AU - Kochelmann, W.

AU - Law, Chunhung

AU - Li, Xiaoe

AU - Foglia, Fabrizia

AU - Walsh, Aron

AU - O'Regan, Brian C.

AU - Nelson, Jenny

AU - Cabral, João T.

AU - Barnes, Piers R.F.

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Y1 - 2015/5/29

N2 - 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 â 1/414â €‰ps. Free rotation, Ï €-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 â 1/40.1-1â €‰ms, faster than most observed hysteresis.

AB - 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 â 1/414â €‰ps. Free rotation, Ï €-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 â 1/40.1-1â €‰ms, faster than most observed hysteresis.

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Leguy AMA, Frost JM, McMahon AP, Sakai VG, Kochelmann W, Law C et al. The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells. Nature communications. 2015 May 29;6. 7124. https://doi.org/10.1038/ncomms8124