Reduced Barrier for Ion Migration in Mixed-Halide Perovskites

Lucie McGovern; Gianluca Grimaldi; Moritz H. Futscher; Eline M. Hutter; Loreta A. Muscarella; Moritz C. Schmidt; Bruno Ehrler

doi:10.1021/acsaem.1c03095

Reduced Barrier for Ion Migration in Mixed-Halide Perovskites

Lucie McGovern, Gianluca Grimaldi, Moritz H. Futscher, Eline M. Hutter, Loreta A. Muscarella, Moritz C. Schmidt, Bruno Ehrler^*

^*Corresponding author for this work

Sub Inorganic Chemistry and Catalysis

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

Abstract

Halide alloying in metal halide perovskites is a useful tool for optoelectronic applications requiring a specific bandgap. However, mixed-halide perovskites show ion migration in the perovskite layer, leading to phase segregation and reducing the long-term stability of the devices. Here, we study the ion migration process in methylammonium-based mixed-halide perovskites with varying ratios of bromide to iodide. We find that the mixed-halide perovskites show two separate halide migration processes, in contrast to pure-phase perovskites, which show only a unique halide migration component. Compared to pure-halide perovskites, these processes have lower activation energies, facilitating ion migration in mixed versus pure-phase perovskites, and have a higher density of mobile ions. Under illumination, we find that the concentration of mobile halide ions is further increased and notice the emergence of a migration process involving methylammonium cations. Quantifying the ion migration processes in mixed-halide perovskites shines light on the key parameters allowing the design of bandgap-tunable perovskite solar cells with long-term stability.

Original language	English
Pages (from-to)	13431-13437
Number of pages	7
Journal	ACS Applied Energy Materials
Volume	4
Issue number	12
DOIs	https://doi.org/10.1021/acsaem.1c03095
Publication status	Published - 27 Dec 2021

Bibliographical note

Funding Information:
This work is part of the Dutch Research Council (NWO) and was performed at the research institute AMOLF. The work of L.M. and L.A.M. was supported by NWO Vidi Grant 016.Vidi.179.005. The work of G.G. was supported by the EPSRC International Centre to Centre grant EP/S030638/1. The work of M.H.F. was supported by NWO Project 15PR3202. The work of E.M.H. was supported by NWO. The work of M.C.S. was supported by the European Research Council (ERC), Grant agreement 947221. The authors thank Dr Sven Askes and Dr Christian Dieleman for carefully reading and commenting on the manuscript.

Publisher Copyright:
© 2021 The Authors. Published by American Chemical Society.

Funding

This work is part of the Dutch Research Council (NWO) and was performed at the research institute AMOLF. The work of L.M. and L.A.M. was supported by NWO Vidi Grant 016.Vidi.179.005. The work of G.G. was supported by the EPSRC International Centre to Centre grant EP/S030638/1. The work of M.H.F. was supported by NWO Project 15PR3202. The work of E.M.H. was supported by NWO. The work of M.C.S. was supported by the European Research Council (ERC), Grant agreement 947221. The authors thank Dr Sven Askes and Dr Christian Dieleman for carefully reading and commenting on the manuscript.

Keywords

activation energy
halide
ion migration
methylammonium
mixed halide
perovskite
phase segregation
transient ion drift

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acsaem.1c03095Final published version, 2.09 MBLicence: CC BY-NC-ND

Cite this

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title = "Reduced Barrier for Ion Migration in Mixed-Halide Perovskites",

abstract = "Halide alloying in metal halide perovskites is a useful tool for optoelectronic applications requiring a specific bandgap. However, mixed-halide perovskites show ion migration in the perovskite layer, leading to phase segregation and reducing the long-term stability of the devices. Here, we study the ion migration process in methylammonium-based mixed-halide perovskites with varying ratios of bromide to iodide. We find that the mixed-halide perovskites show two separate halide migration processes, in contrast to pure-phase perovskites, which show only a unique halide migration component. Compared to pure-halide perovskites, these processes have lower activation energies, facilitating ion migration in mixed versus pure-phase perovskites, and have a higher density of mobile ions. Under illumination, we find that the concentration of mobile halide ions is further increased and notice the emergence of a migration process involving methylammonium cations. Quantifying the ion migration processes in mixed-halide perovskites shines light on the key parameters allowing the design of bandgap-tunable perovskite solar cells with long-term stability.",

keywords = "activation energy, halide, ion migration, methylammonium, mixed halide, perovskite, phase segregation, transient ion drift",

author = "Lucie McGovern and Gianluca Grimaldi and Futscher, {Moritz H.} and Hutter, {Eline M.} and Muscarella, {Loreta A.} and Schmidt, {Moritz C.} and Bruno Ehrler",

note = "Funding Information: This work is part of the Dutch Research Council (NWO) and was performed at the research institute AMOLF. The work of L.M. and L.A.M. was supported by NWO Vidi Grant 016.Vidi.179.005. The work of G.G. was supported by the EPSRC International Centre to Centre grant EP/S030638/1. The work of M.H.F. was supported by NWO Project 15PR3202. The work of E.M.H. was supported by NWO. The work of M.C.S. was supported by the European Research Council (ERC), Grant agreement 947221. The authors thank Dr Sven Askes and Dr Christian Dieleman for carefully reading and commenting on the manuscript. Publisher Copyright: {\textcopyright} 2021 The Authors. Published by American Chemical Society.",

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AU - McGovern, Lucie

AU - Grimaldi, Gianluca

AU - Futscher, Moritz H.

AU - Hutter, Eline M.

AU - Muscarella, Loreta A.

AU - Schmidt, Moritz C.

AU - Ehrler, Bruno

N1 - Funding Information: This work is part of the Dutch Research Council (NWO) and was performed at the research institute AMOLF. The work of L.M. and L.A.M. was supported by NWO Vidi Grant 016.Vidi.179.005. The work of G.G. was supported by the EPSRC International Centre to Centre grant EP/S030638/1. The work of M.H.F. was supported by NWO Project 15PR3202. The work of E.M.H. was supported by NWO. The work of M.C.S. was supported by the European Research Council (ERC), Grant agreement 947221. The authors thank Dr Sven Askes and Dr Christian Dieleman for carefully reading and commenting on the manuscript. Publisher Copyright: © 2021 The Authors. Published by American Chemical Society.

PY - 2021/12/27

Y1 - 2021/12/27

N2 - Halide alloying in metal halide perovskites is a useful tool for optoelectronic applications requiring a specific bandgap. However, mixed-halide perovskites show ion migration in the perovskite layer, leading to phase segregation and reducing the long-term stability of the devices. Here, we study the ion migration process in methylammonium-based mixed-halide perovskites with varying ratios of bromide to iodide. We find that the mixed-halide perovskites show two separate halide migration processes, in contrast to pure-phase perovskites, which show only a unique halide migration component. Compared to pure-halide perovskites, these processes have lower activation energies, facilitating ion migration in mixed versus pure-phase perovskites, and have a higher density of mobile ions. Under illumination, we find that the concentration of mobile halide ions is further increased and notice the emergence of a migration process involving methylammonium cations. Quantifying the ion migration processes in mixed-halide perovskites shines light on the key parameters allowing the design of bandgap-tunable perovskite solar cells with long-term stability.

AB - Halide alloying in metal halide perovskites is a useful tool for optoelectronic applications requiring a specific bandgap. However, mixed-halide perovskites show ion migration in the perovskite layer, leading to phase segregation and reducing the long-term stability of the devices. Here, we study the ion migration process in methylammonium-based mixed-halide perovskites with varying ratios of bromide to iodide. We find that the mixed-halide perovskites show two separate halide migration processes, in contrast to pure-phase perovskites, which show only a unique halide migration component. Compared to pure-halide perovskites, these processes have lower activation energies, facilitating ion migration in mixed versus pure-phase perovskites, and have a higher density of mobile ions. Under illumination, we find that the concentration of mobile halide ions is further increased and notice the emergence of a migration process involving methylammonium cations. Quantifying the ion migration processes in mixed-halide perovskites shines light on the key parameters allowing the design of bandgap-tunable perovskite solar cells with long-term stability.

KW - activation energy

KW - halide

KW - ion migration

KW - methylammonium

KW - mixed halide

KW - perovskite

KW - phase segregation

KW - transient ion drift

U2 - 10.1021/acsaem.1c03095

DO - 10.1021/acsaem.1c03095

M3 - Article

AN - SCOPUS:85121144476

SN - 2574-0962

VL - 4

SP - 13431

EP - 13437

JO - ACS Applied Energy Materials

JF - ACS Applied Energy Materials

IS - 12

ER -

Reduced Barrier for Ion Migration in Mixed-Halide Perovskites

Abstract

Bibliographical note

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Keywords

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