Good Vibrations: Locking of Octahedral Tilting in Mixed-Cation Iodide Perovskites for Solar Cells

Dibyajyoti Ghosh; Philip Walsh Atkins; M. Saiful Islam; Alison B. Walker; Christopher Eames

doi:10.1021/acsenergylett.7b00729

Good Vibrations: Locking of Octahedral Tilting in Mixed-Cation Iodide Perovskites for Solar Cells

Dibyajyoti Ghosh, Philip Walsh Atkins, M. Saiful Islam, Alison B. Walker, Christopher Eames

Research output: Contribution to journal › Article › peer-review

128 Citations (SciVal)

1042 Downloads (Pure)

Abstract

Metal halide perovskite solar cells have rapidly emerged as leading contenders in photovoltaic technology. Compositions with a mixture of cation species on the A-site show the best performance and have higher stability. However, the underlying fundamentals of such an enhancement are not fully understood. Here, we investigate the local structures and dynamics of mixed A-cation compositions. We show that substitution of low concentrations of smaller cations on the A-site in formamidimium lead iodide (CH(NH₂)₂PbI₃) results in a global "locking" of the PbI₆ octahedra tilting. In the locked structure the octahedra tilt at a larger angle but undergo a much reduced amplitude of rocking motion. A key impact of this feature is that the rotational or tumbling motion of the CH(NH₂)₂⁺ molecular ion in a locked cage is severely restricted. We discuss the impact of locking on the photovoltaic performance and stability.

Original language	English
Pages (from-to)	2424-2429
Number of pages	6
Journal	ACS Energy Letters
Volume	2
Issue number	10
Early online date	19 Sept 2017
DOIs	https://doi.org/10.1021/acsenergylett.7b00729
Publication status	Published - 13 Oct 2017

ASJC Scopus subject areas

Chemistry (miscellaneous)
Energy Engineering and Power Technology
Fuel Technology
Renewable Energy, Sustainability and the Environment
Materials Chemistry

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1021/acsenergylett.7b00729

ghoshael17acc
This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Energy Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acsenergylett.7b00729.
Accepted author manuscript, 2.89 MB

Cite this

@article{8939b4e5d1764da8808199ea6d1ec7e2,

title = "Good Vibrations: Locking of Octahedral Tilting in Mixed-Cation Iodide Perovskites for Solar Cells",

abstract = "Metal halide perovskite solar cells have rapidly emerged as leading contenders in photovoltaic technology. Compositions with a mixture of cation species on the A-site show the best performance and have higher stability. However, the underlying fundamentals of such an enhancement are not fully understood. Here, we investigate the local structures and dynamics of mixed A-cation compositions. We show that substitution of low concentrations of smaller cations on the A-site in formamidimium lead iodide (CH(NH2)2PbI3) results in a global {"}locking{"} of the PbI6 octahedra tilting. In the locked structure the octahedra tilt at a larger angle but undergo a much reduced amplitude of rocking motion. A key impact of this feature is that the rotational or tumbling motion of the CH(NH2)2+ molecular ion in a locked cage is severely restricted. We discuss the impact of locking on the photovoltaic performance and stability.",

author = "Dibyajyoti Ghosh and {Walsh Atkins}, Philip and Islam, {M. Saiful} and Walker, {Alison B.} and Christopher Eames",

year = "2017",

month = oct,

day = "13",

doi = "10.1021/acsenergylett.7b00729",

language = "English",

volume = "2",

pages = "2424--2429",

journal = "ACS Energy Letters",

issn = "2380-8195",

publisher = "American Chemical Society",

number = "10",

}

TY - JOUR

T1 - Good Vibrations

T2 - Locking of Octahedral Tilting in Mixed-Cation Iodide Perovskites for Solar Cells

AU - Ghosh, Dibyajyoti

AU - Walsh Atkins, Philip

AU - Islam, M. Saiful

AU - Walker, Alison B.

AU - Eames, Christopher

PY - 2017/10/13

Y1 - 2017/10/13

N2 - Metal halide perovskite solar cells have rapidly emerged as leading contenders in photovoltaic technology. Compositions with a mixture of cation species on the A-site show the best performance and have higher stability. However, the underlying fundamentals of such an enhancement are not fully understood. Here, we investigate the local structures and dynamics of mixed A-cation compositions. We show that substitution of low concentrations of smaller cations on the A-site in formamidimium lead iodide (CH(NH2)2PbI3) results in a global "locking" of the PbI6 octahedra tilting. In the locked structure the octahedra tilt at a larger angle but undergo a much reduced amplitude of rocking motion. A key impact of this feature is that the rotational or tumbling motion of the CH(NH2)2+ molecular ion in a locked cage is severely restricted. We discuss the impact of locking on the photovoltaic performance and stability.

AB - Metal halide perovskite solar cells have rapidly emerged as leading contenders in photovoltaic technology. Compositions with a mixture of cation species on the A-site show the best performance and have higher stability. However, the underlying fundamentals of such an enhancement are not fully understood. Here, we investigate the local structures and dynamics of mixed A-cation compositions. We show that substitution of low concentrations of smaller cations on the A-site in formamidimium lead iodide (CH(NH2)2PbI3) results in a global "locking" of the PbI6 octahedra tilting. In the locked structure the octahedra tilt at a larger angle but undergo a much reduced amplitude of rocking motion. A key impact of this feature is that the rotational or tumbling motion of the CH(NH2)2+ molecular ion in a locked cage is severely restricted. We discuss the impact of locking on the photovoltaic performance and stability.

UR - http://www.scopus.com/inward/record.url?scp=85031298880&partnerID=8YFLogxK

U2 - 10.1021/acsenergylett.7b00729

DO - 10.1021/acsenergylett.7b00729

M3 - Article

AN - SCOPUS:85031298880

SN - 2380-8195

VL - 2

SP - 2424

EP - 2429

JO - ACS Energy Letters

JF - ACS Energy Letters

IS - 10

ER -

Good Vibrations: Locking of Octahedral Tilting in Mixed-Cation Iodide Perovskites for Solar Cells

Abstract

ASJC Scopus subject areas

UN SDGs

Access to Document

Other files and links

Fingerprint

High Performance Computing (HPC) Facility

Cite this

Good Vibrations: Locking of Octahedral Tilting in Mixed-Cation Iodide Perovskites for Solar Cells

Abstract

ASJC Scopus subject areas

UN SDGs

Access to Document

Other files and links

Fingerprint

Equipment

High Performance Computing (HPC) Facility

Cite this