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

doi:10.1038/ncomms8124

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

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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 language	English
Article number	7124
Journal	Nature Communications
Volume	6
DOIs	https://doi.org/10.1038/ncomms8124
State	Published - 29 May 2015

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@article{a5abbdc3706d4156bcae948c82cde6ee,

title = "The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells",

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.",

author = "Leguy, {Aurelien M.A.} and Frost, {Jarvist Moore} and McMahon, {Andrew P.} and Sakai, {Victoria Garcia} and W. Kochelmann and Chunhung Law and Xiaoe Li and Fabrizia Foglia and Aron Walsh and O'Regan, {Brian C.} and Jenny Nelson and Cabral, {Jo{\~a}o T.} and Barnes, {Piers R.F.}",

note = "Funding Information: We thank Jean Marc Zanotti (LLB Saclay), Davide Moia and Nic Harrison for their useful discussions. P.R.F.B., A.M.A.L., B.C.O{\textquoteright}R., J.N. and X.L. are grateful to the UK Engineering and Physical Sciences Research Council for financial support (grants EP/ J002305/1, EP/M023532/1, EP/I019278/1 and EP/M014797/1).",

year = "2015",

month = may,

day = "29",

doi = "10.1038/ncomms8124",

language = "English",

volume = "6",

journal = "Nature Communications",

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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.

N1 - Funding Information: We thank Jean Marc Zanotti (LLB Saclay), Davide Moia and Nic Harrison for their useful discussions. P.R.F.B., A.M.A.L., B.C.O’R., J.N. and X.L. are grateful to the UK Engineering and Physical Sciences Research Council for financial support (grants EP/ J002305/1, EP/M023532/1, EP/I019278/1 and EP/M014797/1).

PY - 2015/5/29

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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VL - 6

JO - Nature Communications

JF - Nature Communications

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

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