Impact of Surfaces on Photoinduced Halide Segregation in Mixed-Halide Perovskites

Belisle, Rebecca A.; Bush, Kevin A.; Bertoluzzi, Luca; Gold-Parker, Aryeh; Toney, Michael F.; McGehee, Michael D.

doi:10.1021/acsenergylett.8b01562

Title: Impact of Surfaces on Photoinduced Halide Segregation in Mixed-Halide Perovskites

Abstract

Photoinduced halide segregation currently limits the perovskite chemistries available for use in high-bandgap semiconductors needed for tandem solar cells. Here, we study the impact of post-deposition surface modifications on photoinduced halide segregation in methylammonium lead mixed-halide perovskites. By coating a perovskite surface with the electron-donating ligand trioctylphosphine oxide (TOPO), we are able to both reduce nonradiative recombination and dramatically slow the onset of halide segregation in CH₃NH₃PbI₂Br films. This result, coupled with the observation that the rate of halide segregation can be tuned by varying the selective contact, provides a direct link between surface modifications and photoinduced trap formation. On the basis of these observations, we discuss possible mechanisms for photoinduced halide segregation supported by drift-diffusion simulations. In conclusion, this work suggests that improved understanding and control of perovskite surfaces provides a pathway toward stable and high-performance wide-bandgap perovskites for the next generation of tandem solar cells.

Authors:

^[1]; Bush, Kevin A. ^[2]; Bertoluzzi, Luca ^[2]; Gold-Parker, Aryeh ^[3];

^[4];

^[5]

Wellesley College, Wellesley, MA (United States); Stanford Univ., Stanford, CA (United States)
Stanford Univ., Stanford, CA (United States)
Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Univ. of Colorado, Boulder, CO (United States)

Publication Date:: Fri Oct 05 00:00:00 EDT 2018

Research Org.:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

OSTI Identifier:: 1490990

Grant/Contract Number:: AC02-76SF00515; P400P2_180780; DGE-1147470; 1664669

Resource Type:: Accepted Manuscript

Journal Name:: ACS Energy Letters

Additional Journal Information:: Journal Volume: 3; Journal Issue: 11; Journal ID: ISSN 2380-8195

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Belisle, Rebecca A., Bush, Kevin A., Bertoluzzi, Luca, Gold-Parker, Aryeh, Toney, Michael F., and McGehee, Michael D. Impact of Surfaces on Photoinduced Halide Segregation in Mixed-Halide Perovskites.  United States: N. p., 2018. 
Web.  doi:10.1021/acsenergylett.8b01562.

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                    Belisle, Rebecca A., Bush, Kevin A., Bertoluzzi, Luca, Gold-Parker, Aryeh, Toney, Michael F., & McGehee, Michael D. Impact of Surfaces on Photoinduced Halide Segregation in Mixed-Halide Perovskites.  United States.  https://doi.org/10.1021/acsenergylett.8b01562

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                    Belisle, Rebecca A., Bush, Kevin A., Bertoluzzi, Luca, Gold-Parker, Aryeh, Toney, Michael F., and McGehee, Michael D. Fri .  
"Impact of Surfaces on Photoinduced Halide Segregation in Mixed-Halide Perovskites".  United States.  https://doi.org/10.1021/acsenergylett.8b01562.  https://www.osti.gov/servlets/purl/1490990.

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@article{osti_1490990,

  title        = {Impact of Surfaces on Photoinduced Halide Segregation in Mixed-Halide Perovskites},

  author       = {Belisle, Rebecca A. and Bush, Kevin A. and Bertoluzzi, Luca and Gold-Parker, Aryeh and Toney, Michael F. and McGehee, Michael D.},

  abstractNote = {Photoinduced halide segregation currently limits the perovskite chemistries available for use in high-bandgap semiconductors needed for tandem solar cells. Here, we study the impact of post-deposition surface modifications on photoinduced halide segregation in methylammonium lead mixed-halide perovskites. By coating a perovskite surface with the electron-donating ligand trioctylphosphine oxide (TOPO), we are able to both reduce nonradiative recombination and dramatically slow the onset of halide segregation in CH3NH3PbI2Br films. This result, coupled with the observation that the rate of halide segregation can be tuned by varying the selective contact, provides a direct link between surface modifications and photoinduced trap formation. On the basis of these observations, we discuss possible mechanisms for photoinduced halide segregation supported by drift-diffusion simulations. In conclusion, this work suggests that improved understanding and control of perovskite surfaces provides a pathway toward stable and high-performance wide-bandgap perovskites for the next generation of tandem solar cells.},

  doi          = {10.1021/acsenergylett.8b01562},

  journal      = {ACS Energy Letters},

  number       = 11,

  volume       = 3,

  place        = {United States},

  year         = {Fri Oct 05 00:00:00 EDT 2018},

  month        = {Fri Oct 05 00:00:00 EDT 2018}

}

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https://doi.org/10.1021/acsenergylett.8b01562

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Figure 1: Behavior of CH₃NH₃PbI₂Br with and without Lewis base treatment trioctylphosphine oxide (TOPO) as monitored by photoluminescence under 0.1 suns equivalent of 488 nm illumination through top-surface of a perovskite film over a two minute time period (a) without and (b) with treatment, and (c) after 10 minutes ofmore »

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Title: Impact of Surfaces on Photoinduced Halide Segregation in Mixed-Halide Perovskites

Abstract

Citation Formats

Figures / Tables:

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Modeling of two‐junction, series‐connected tandem solar cells using top‐cell thickness as an adjustable parameter journal, August 1990

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The Potential of Multijunction Perovskite Solar Cells journal, October 2017

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Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells journal, March 2013

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Light-Induced Phase Segregation in Halide-Perovskite Absorbers journal, November 2016

Selecting tandem partners for silicon solar cells journal, September 2016

Tracking Iodide and Bromide Ion Segregation in Mixed Halide Lead Perovskites during Photoirradiation journal, June 2016

A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells journal, January 2016

Enhancing the Hole-Conductivity of Spiro-OMeTAD without Oxygen or Lithium Salts by Using Spiro(TFSI) 2 in Perovskite and Dye-Sensitized Solar Cells journal, July 2014

Multifunctional Benzoquinone Additive for Efficient and Stable Planar Perovskite Solar Cells journal, November 2016

Defect-Assisted Photoinduced Halide Segregation in Mixed-Halide Perovskite Thin Films journal, May 2017

Shift Happens . How Halide Ion Defects Influence Photoinduced Segregation in Mixed Halide Perovskites journal, June 2017

Current-Induced Phase Segregation in Mixed Halide Hybrid Perovskites and its Impact on Two-Terminal Tandem Solar Cell Design journal, July 2017

Stabilized Wide Bandgap MAPbBr x I 3- x Perovskite by Enhanced Grain Size and Improved Crystallinity journal, December 2015

Origin of Reversible Photoinduced Phase Separation in Hybrid Perovskites journal, January 2017

Rationalizing the light-induced phase separation of mixed halide organic–inorganic perovskites journal, August 2017

Thermodynamic Origin of Photoinstability in the CH 3 NH 3 Pb(I 1– x Br x ) 3 Hybrid Halide Perovskite Alloy journal, March 2016

Interface passivation using ultrathin polymer–fullerene films for high-efficiency perovskite solar cells with negligible hysteresis journal, January 2017

Identifying and suppressing interfacial recombination to achieve high open-circuit voltage in perovskite solar cells journal, January 2017

Top and bottom surfaces limit carrier lifetime in lead iodide perovskite films journal, January 2017

Photoluminescence Lifetimes Exceeding 8 μs and Quantum Yields Exceeding 30% in Hybrid Perovskite Thin Films by Ligand Passivation journal, July 2016

Reduced Interface-Mediated Recombination for High Open-Circuit Voltages in CH 3 NH 3 PbI 3 Solar Cells journal, May 2017

Enhanced Photoluminescence and Solar Cell Performance via Lewis Base Passivation of Organic–Inorganic Lead Halide Perovskites journal, September 2014

Defect passivation in hybrid perovskite solar cells using quaternary ammonium halide anions and cations journal, June 2017

Approaching Bulk Carrier Dynamics in Organo-Halide Perovskite Nanocrystalline Films by Surface Passivation journal, March 2016

Supramolecular Halogen Bond Passivation of Organic–Inorganic Halide Perovskite Solar Cells journal, May 2014

Hybrid perovskite films approaching the radiative limit with over 90% photoluminescence quantum efficiency journal, April 2018

Photoemission study of Zr- and Hf-silicates for use as high-κ oxides: Role of second nearest neighbors and interface charge journal, September 2002

X‐ray photoelectron spectroscopy study on the electrical double layer at an Al 2 O 3 –Al interface journal, September 1992

Ionic transport in hybrid lead iodide perovskite solar cells journal, June 2015

Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties journal, July 2013

Carrier trapping and recombination: the role of defect physics in enhancing the open circuit voltage of metal halide perovskite solar cells journal, January 2016

Charge Trapping in Photovoltaically Active Perovskites and Related Halogenoplumbate Compounds journal, March 2014

Photo-induced halide redistribution in organic–inorganic perovskite films journal, May 2016

Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites journal, December 2014

Unusual defect physics in CH 3 NH 3 PbI 3 perovskite solar cell absorber journal, February 2014

Halide-Dependent Electronic Structure of Organolead Perovskite Materials journal, June 2015

Reverse Bias Behavior of Halide Perovskite Solar Cells journal, December 2017

Enhancing photoluminescence yields in lead halide perovskites by photon recycling and light out-coupling journal, December 2016

Unipolar self-doping behavior in perovskite CH 3 NH 3 PbBr 3 journal, March 2015

Large tunable photoeffect on ion conduction in halide perovskites and implications for photodecomposition journal, March 2018

Interface energetics in organo-metal halide perovskite-based photovoltaic cells journal, January 2014

Enhancing the Brightness of Cesium Lead Halide Perovskite Nanocrystal Based Green Light-Emitting Devices through the Interface Engineering with Perfluorinated Ionomer journal, January 2016

Instability of p–i–n perovskite solar cells under reverse bias journal, January 2020

Triple-halide wide–band gap perovskites with suppressed phase segregation for efficient tandems journal, March 2020

Highly efficient all-inorganic perovskite solar cells with suppressed non-radiative recombination by a Lewis base journal, January 2020

Ultrafast carrier dynamics of metal halide perovskite nanocrystals and perovskite-composites journal, January 2019

Wide-bandgap, low-bandgap, and tandem perovskite solar cells journal, July 2019

Temperature-driven anion migration in gradient halide perovskites journal, October 2019

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal, April 2010

Reversible Removal of Intermixed Shallow States by Light Soaking in Multication Mixed Halide Perovskite Films journal, September 2019

Electrochemical Hole Injection Selectively Expels Iodide from Mixed Halide Perovskite Films journal, June 2019

23.6%-efficient monolithic perovskite/silicon tandem solar cells with improved stability
journal, February 2017

Perovskite-perovskite tandem photovoltaics with optimized band gaps
journal, October 2016

Rubidium Multication Perovskite with Optimized Bandgap for Perovskite-Silicon Tandem with over 26% Efficiency
journal, April 2017

Improved Optics in Monolithic Perovskite/Silicon Tandem Solar Cells with a Nanocrystalline Silicon Recombination Junction
journal, October 2017

Modeling of two‐junction, series‐connected tandem solar cells using top‐cell thickness as an adjustable parameter
journal, August 1990

Minimizing Current and Voltage Losses to Reach 25% Efficient Monolithic Two-Terminal Perovskite–Silicon Tandem Solar Cells
journal, August 2018

The Potential of Multijunction Perovskite Solar Cells
journal, October 2017

High Open-Circuit Voltages in Tin-Rich Low-Bandgap Perovskite-Based Planar Heterojunction Photovoltaics
journal, November 2016

Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells
journal, March 2013

Cesium Lead Halide Perovskites with Improved Stability for Tandem Solar Cells
journal, February 2016

Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells
journal, January 2014

Light-Induced Phase Segregation in Halide-Perovskite Absorbers
journal, November 2016

Selecting tandem partners for silicon solar cells
journal, September 2016

Tracking Iodide and Bromide Ion Segregation in Mixed Halide Lead Perovskites during Photoirradiation
journal, June 2016

A mixed-cation lead mixed-halide perovskite absorber for tandem solar cells
journal, January 2016

Enhancing the Hole-Conductivity of Spiro-OMeTAD without Oxygen or Lithium Salts by Using Spiro(TFSI) ₂ in Perovskite and Dye-Sensitized Solar Cells
journal, July 2014

Multifunctional Benzoquinone Additive for Efficient and Stable Planar Perovskite Solar Cells
journal, November 2016

Defect-Assisted Photoinduced Halide Segregation in Mixed-Halide Perovskite Thin Films
journal, May 2017

Shift Happens . How Halide Ion Defects Influence Photoinduced Segregation in Mixed Halide Perovskites
journal, June 2017

Current-Induced Phase Segregation in Mixed Halide Hybrid Perovskites and its Impact on Two-Terminal Tandem Solar Cell Design
journal, July 2017

Stabilized Wide Bandgap MAPbBr _x I _{3- x} Perovskite by Enhanced Grain Size and Improved Crystallinity
journal, December 2015

Origin of Reversible Photoinduced Phase Separation in Hybrid Perovskites
journal, January 2017

Rationalizing the light-induced phase separation of mixed halide organic–inorganic perovskites
journal, August 2017

Thermodynamic Origin of Photoinstability in the CH ₃ NH ₃ Pb(I _{1– x} Br _x ) ₃ Hybrid Halide Perovskite Alloy
journal, March 2016

Interface passivation using ultrathin polymer–fullerene films for high-efficiency perovskite solar cells with negligible hysteresis
journal, January 2017

Identifying and suppressing interfacial recombination to achieve high open-circuit voltage in perovskite solar cells
journal, January 2017

Top and bottom surfaces limit carrier lifetime in lead iodide perovskite films
journal, January 2017

Photoluminescence Lifetimes Exceeding 8 μs and Quantum Yields Exceeding 30% in Hybrid Perovskite Thin Films by Ligand Passivation
journal, July 2016

Reduced Interface-Mediated Recombination for High Open-Circuit Voltages in CH ₃ NH ₃ PbI ₃ Solar Cells
journal, May 2017

Enhanced Photoluminescence and Solar Cell Performance via Lewis Base Passivation of Organic–Inorganic Lead Halide Perovskites
journal, September 2014

Defect passivation in hybrid perovskite solar cells using quaternary ammonium halide anions and cations
journal, June 2017

Approaching Bulk Carrier Dynamics in Organo-Halide Perovskite Nanocrystalline Films by Surface Passivation
journal, March 2016

Supramolecular Halogen Bond Passivation of Organic–Inorganic Halide Perovskite Solar Cells
journal, May 2014

Hybrid perovskite films approaching the radiative limit with over 90% photoluminescence quantum efficiency
journal, April 2018

Photoemission study of Zr- and Hf-silicates for use as high-κ oxides: Role of second nearest neighbors and interface charge
journal, September 2002

X‐ray photoelectron spectroscopy study on the electrical double layer at an Al ₂ O ₃ –Al interface
journal, September 1992

Ionic transport in hybrid lead iodide perovskite solar cells
journal, June 2015

Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
journal, July 2013

Carrier trapping and recombination: the role of defect physics in enhancing the open circuit voltage of metal halide perovskite solar cells
journal, January 2016

Charge Trapping in Photovoltaically Active Perovskites and Related Halogenoplumbate Compounds
journal, March 2014

Photo-induced halide redistribution in organic–inorganic perovskite films
journal, May 2016

Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites
journal, December 2014

Unusual defect physics in CH ₃ NH ₃ PbI ₃ perovskite solar cell absorber
journal, February 2014

Halide-Dependent Electronic Structure of Organolead Perovskite Materials
journal, June 2015

Reverse Bias Behavior of Halide Perovskite Solar Cells
journal, December 2017

Enhancing photoluminescence yields in lead halide perovskites by photon recycling and light out-coupling
journal, December 2016

Unipolar self-doping behavior in perovskite CH ₃ NH ₃ PbBr ₃
journal, March 2015

Large tunable photoeffect on ion conduction in halide perovskites and implications for photodecomposition
journal, March 2018

Interface energetics in organo-metal halide perovskite-based photovoltaic cells
journal, January 2014

Enhancing the Brightness of Cesium Lead Halide Perovskite Nanocrystal Based Green Light-Emitting Devices through the Interface Engineering with Perfluorinated Ionomer
journal, January 2016

Instability of p–i–n perovskite solar cells under reverse bias
journal, January 2020

Triple-halide wide–band gap perovskites with suppressed phase segregation for efficient tandems
journal, March 2020

Highly efficient all-inorganic perovskite solar cells with suppressed non-radiative recombination by a Lewis base
journal, January 2020

Ultrafast carrier dynamics of metal halide perovskite nanocrystals and perovskite-composites
journal, January 2019

Wide-bandgap, low-bandgap, and tandem perovskite solar cells
journal, July 2019

Temperature-driven anion migration in gradient halide perovskites
journal, October 2019

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010

Reversible Removal of Intermixed Shallow States by Light Soaking in Multication Mixed Halide Perovskite Films
journal, September 2019

Electrochemical Hole Injection Selectively Expels Iodide from Mixed Halide Perovskite Films
journal, June 2019