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Title: Large polarons in lead halide perovskites

Abstract

Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3- frameworks, irrespective of the cation type. The difference lies in the polaron formation time, which, in CH3NH3PbBr3 (0.3 ps), is less than half of that in CsPbBr3 (0.7 ps). First-principles calculations confirm large polaron formation, identify the Pb-Br-Pb deformation modes as responsible, and explain quantitatively the rate difference between CH3NH3PbBr3 and CsPbBr3. The findings reveal the general advantage of the soft [PbX3]- sublattice in charge carrier protection and suggest that there is likely no mechanistic limitations in using all-inorganic or mixed-cation lead halide perovskites to overcome instability problems and to tune the balance between charge carrier protection and mobility.

Authors:
ORCiD logo [1];  [2];  [1]; ORCiD logo [1];  [2]; ORCiD logo [1];  [2]; ORCiD logo [1]
  1. Columbia Univ., New York, NY (United States)
  2. National Research Council, Perugia (Italy). Inst. of Molecular Science and Technologies; Istituto Italiano di Tecnologia (IIT), Genova (Italy)
Publication Date:
Research Org.:
Columbia Univ., New York, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1536831
Grant/Contract Number:  
SC0010692; SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
Science Advances
Additional Journal Information:
Journal Volume: 3; Journal Issue: 8; Journal ID: ISSN 2375-2548
Publisher:
AAAS
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Miyata, Kiyoshi, Meggiolaro, Daniele, Trinh, M. Tuan, Joshi, Prakriti P., Mosconi, Edoardo, Jones, Skyler C., De Angelis, Filippo, and Zhu, X. -Y. Large polarons in lead halide perovskites. United States: N. p., 2017. Web. doi:10.1126/sciadv.1701217.
Miyata, Kiyoshi, Meggiolaro, Daniele, Trinh, M. Tuan, Joshi, Prakriti P., Mosconi, Edoardo, Jones, Skyler C., De Angelis, Filippo, & Zhu, X. -Y. Large polarons in lead halide perovskites. United States. doi:10.1126/sciadv.1701217.
Miyata, Kiyoshi, Meggiolaro, Daniele, Trinh, M. Tuan, Joshi, Prakriti P., Mosconi, Edoardo, Jones, Skyler C., De Angelis, Filippo, and Zhu, X. -Y. Fri . "Large polarons in lead halide perovskites". United States. doi:10.1126/sciadv.1701217. https://www.osti.gov/servlets/purl/1536831.
@article{osti_1536831,
title = {Large polarons in lead halide perovskites},
author = {Miyata, Kiyoshi and Meggiolaro, Daniele and Trinh, M. Tuan and Joshi, Prakriti P. and Mosconi, Edoardo and Jones, Skyler C. and De Angelis, Filippo and Zhu, X. -Y.},
abstractNote = {Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3- frameworks, irrespective of the cation type. The difference lies in the polaron formation time, which, in CH3NH3PbBr3 (0.3 ps), is less than half of that in CsPbBr3 (0.7 ps). First-principles calculations confirm large polaron formation, identify the Pb-Br-Pb deformation modes as responsible, and explain quantitatively the rate difference between CH3NH3PbBr3 and CsPbBr3. The findings reveal the general advantage of the soft [PbX3]- sublattice in charge carrier protection and suggest that there is likely no mechanistic limitations in using all-inorganic or mixed-cation lead halide perovskites to overcome instability problems and to tune the balance between charge carrier protection and mobility.},
doi = {10.1126/sciadv.1701217},
journal = {Science Advances},
number = 8,
volume = 3,
place = {United States},
year = {2017},
month = {8}
}

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Cited by: 174 works
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Works referenced in this record:

Intriguing Optoelectronic Properties of Metal Halide Perovskites
journal, June 2016


Charge Carriers in Hybrid Organic–Inorganic Lead Halide Perovskites Might Be Protected as Large Polarons
journal, November 2015


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Exploring the cation dynamics in lead-bromide hybrid perovskites
journal, June 2016


Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties
journal, January 2016

  • Brenner, Thomas M.; Egger, David A.; Kronik, Leeor
  • Nature Reviews Materials, Vol. 1, Issue 1
  • DOI: 10.1038/natrevmats.2015.7

Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites
journal, February 2015

  • Walsh, Aron
  • The Journal of Physical Chemistry C, Vol. 119, Issue 11
  • DOI: 10.1021/jp512420b

Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting
journal, May 2014

  • Amat, Anna; Mosconi, Edoardo; Ronca, Enrico
  • Nano Letters, Vol. 14, Issue 6
  • DOI: 10.1021/nl5012992

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Ultrafast Optical Kerr Effect in Liquids and Solids
journal, November 1993


Deformation Potentials and Mobilities in Non-Polar Crystals
journal, October 1950


Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics
journal, January 2015

  • Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 14
  • DOI: 10.1039/C5CP00599J

Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH 3 NH 3 PbI 3
journal, November 2015


Direct Experimental Evidence for Photoinduced Strong-Coupling Polarons in Organolead Halide Perovskite Nanoparticles
journal, November 2016

  • Zheng, Kaibo; Abdellah, Mohamed; Zhu, Qiushi
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 22
  • DOI: 10.1021/acs.jpclett.6b02046

Lead Halide Perovskite Photovoltaic as a Model pin Diode
journal, January 2016


Broadband Emission in Two-Dimensional Hybrid Perovskites: The Role of Structural Deformation
journal, December 2016

  • Cortecchia, Daniele; Neutzner, Stefanie; Srimath Kandada, Ajay Ram
  • Journal of the American Chemical Society, Vol. 139, Issue 1
  • DOI: 10.1021/jacs.6b10390

Electron-hole diffusion lengths > 175 μm in solution-grown CH 3 NH 3 PbI 3 single crystals
journal, January 2015


How Important Is the Organic Part of Lead Halide Perovskite Photovoltaic Cells? Efficient CsPbBr 3 Cells
journal, June 2015

  • Kulbak, Michael; Cahen, David; Hodes, Gary
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 13
  • DOI: 10.1021/acs.jpclett.5b00968

Mechanical properties of A Pb X 3 ( A = Cs or CH 3 NH 3 ; X = I or Br) perovskite single crystals
journal, October 2015

  • Rakita, Yevgeny; Cohen, Sidney R.; Kedem, Nir Klein
  • MRS Communications, Vol. 5, Issue 4
  • DOI: 10.1557/mrc.2015.69

Perovskites for Solar Thermoelectric Applications: A First Principle Study of CH 3 NH 3 AI 3 (A = Pb and Sn)
journal, August 2014

  • He, Yuping; Galli, Giulia
  • Chemistry of Materials, Vol. 26, Issue 18
  • DOI: 10.1021/cm5026766

Low-Temperature Solution-Grown CsPbBr 3 Single Crystals and Their Characterization
journal, September 2016

  • Rakita, Yevgeny; Kedem, Nir; Gupta, Satyajit
  • Crystal Growth & Design, Vol. 16, Issue 10
  • DOI: 10.1021/acs.cgd.6b00764

Hybrid perovskites for photovoltaics: Insights from first principles
journal, March 2014


Thermally Activated Exciton Dissociation and Recombination Control the Carrier Dynamics in Organometal Halide Perovskite
journal, June 2014

  • Savenije, Tom J.; Ponseca, Carlito S.; Kunneman, Lucas
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 13
  • DOI: 10.1021/jz500858a

Slow Electrons in a Polar Crystal
journal, February 1955


Polaron State at a Finite Temperature
journal, September 1959


Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles
journal, January 2016

  • Zhao, Tianqi; Shi, Wen; Xi, Jinyang
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep19968

Charge-Carrier Dynamics in Organic-Inorganic Metal Halide Perovskites
journal, May 2016


Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH3NH3PbI3
journal, October 2013


Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites
journal, January 2016


Giant photostriction in organic–inorganic lead halide perovskites
journal, April 2016

  • Zhou, Yang; You, Lu; Wang, Shiwei
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11193

Electrons in lattice fields
journal, July 1954


Slow Electrons in Polar Crystals: Self-Energy, Mass, and Mobility
journal, November 1959


Local Polar Fluctuations in Lead Halide Perovskite Crystals
journal, March 2017


Intrinsic Charge Transport across Phase Transitions in Hybrid Organo-Inorganic Perovskites
journal, May 2016


Room-Temperature Coherent Optical Phonon in 2D Electronic Spectra of CH 3 NH 3 PbI 3 Perovskite as a Possible Cooling Bottleneck
journal, June 2017

  • Monahan, Daniele M.; Guo, Liang; Lin, Jia
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 14
  • DOI: 10.1021/acs.jpclett.7b01357

Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals
journal, January 2015


Metal halide perovskites for energy applications
journal, May 2016


Role of Cations on the Electronic Transport and Optical Properties of Lead-Iodide Perovskites
journal, July 2016

  • Berdiyorov, Golibjon R.; Kachmar, Ali; El-Mellouhi, Fedwa
  • The Journal of Physical Chemistry C, Vol. 120, Issue 30
  • DOI: 10.1021/acs.jpcc.6b01818

High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization
journal, July 2015

  • Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Murali, Banavoth
  • Nature Communications, Vol. 6, Article No. 7586
  • DOI: 10.1038/ncomms8586

Mobility of Slow Electrons in a Polar Crystal
journal, August 1962


Screening in crystalline liquids protects energetic carriers in hybrid perovskites
journal, September 2016


Efficient Planar Heterojunction Perovskite Solar Cells Based on Formamidinium Lead Bromide
journal, August 2014

  • Hanusch, Fabian C.; Wiesenmayer, Erwin; Mankel, Eric
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 16
  • DOI: 10.1021/jz501237m

Electron-Phonon Interaction and Charge Carrier Mass Enhancement in SrTiO 3
journal, June 2008


Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials
journal, May 2016


The Raman Spectrum of the CH 3 NH 3 PbI 3 Hybrid Perovskite: Interplay of Theory and Experiment
journal, December 2013

  • Quarti, Claudio; Grancini, Giulia; Mosconi, Edoardo
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 2
  • DOI: 10.1021/jz402589q

Mobility of an electron in a multimode polar lattice
journal, July 1999


Phonon–Electron Scattering Limits Free Charge Mobility in Methylammonium Lead Iodide Perovskites
journal, December 2015

  • Karakus, Melike; Jensen, Søren A.; D’Angelo, Francesco
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 24
  • DOI: 10.1021/acs.jpclett.5b02485

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

  • Walsh, Aron; Scanlon, David O.; Chen, Shiyou
  • Angewandte Chemie International Edition, Vol. 54, Issue 6
  • DOI: 10.1002/anie.201409740

Femtosecond optical Kerr studies on the origin of the nonlinear responses in simple liquids
journal, January 1988

  • McMorrow, D.; Lotshaw, W. T.; Kenney-Wallace, G. A.
  • IEEE Journal of Quantum Electronics, Vol. 24, Issue 2
  • DOI: 10.1109/3.144

Electron–acoustic phonon coupling in single crystal CH3NH3PbI3 perovskites revealed by coherent acoustic phonons
journal, February 2017

  • Mante, Pierre-Adrien; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms14398

Extended carrier lifetimes and diffusion in hybrid perovskites revealed by Hall effect and photoconductivity measurements
journal, August 2016


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

  • Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa
  • Applied Physics Letters, Vol. 104, Issue 6
  • DOI: 10.1063/1.4864778

Terahertz Conductivity within Colloidal CsPbBr 3 Perovskite Nanocrystals: Remarkably High Carrier Mobilities and Large Diffusion Lengths
journal, July 2016


Persistent Energetic Electrons in Methylammonium Lead Iodide Perovskite Thin Films
journal, November 2016

  • Niesner, Daniel; Zhu, Haiming; Miyata, Kiyoshi
  • Journal of the American Chemical Society, Vol. 138, Issue 48
  • DOI: 10.1021/jacs.6b08880

Low surface recombination velocity in solution-grown CH3NH3PbBr3 perovskite single crystal
journal, August 2015

  • Yang, Ye; Yan, Yong; Yang, Mengjin
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8961

Solution Synthesis Approach to Colloidal Cesium Lead Halide Perovskite Nanoplatelets with Monolayer-Level Thickness Control
journal, January 2016

  • Akkerman, Quinten A.; Motti, Silvia Genaro; Srimath Kandada, Ajay Ram
  • Journal of the American Chemical Society, Vol. 138, Issue 3
  • DOI: 10.1021/jacs.5b12124

High intrinsic carrier mobility and photon absorption in the perovskite CH 3 NH 3 PbI 3
journal, January 2015

  • Wang, Youwei; Zhang, Yubo; Zhang, Peihong
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 17
  • DOI: 10.1039/C5CP00448A

Carrier-induced change in refractive index of InP, GaAs and InGaAsP
journal, January 1990

  • Bennett, B. R.; Soref, R. A.; Del Alamo, J. A.
  • IEEE Journal of Quantum Electronics, Vol. 26, Issue 1
  • DOI: 10.1109/3.44924

Organic Cations Might Not Be Essential to the Remarkable Properties of Band Edge Carriers in Lead Halide Perovskites
journal, October 2016


Vibrational Response of Methylammonium Lead Iodide: From Cation Dynamics to Phonon-Phonon Interactions
journal, September 2016

  • Ivanovska, Tanja; Quarti, Claudio; Grancini, Giulia
  • ChemSusChem, Vol. 9, Issue 20
  • DOI: 10.1002/cssc.201600932

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


Rationale for mixing exact exchange with density functional approximations
journal, December 1996

  • Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
  • The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
  • DOI: 10.1063/1.472933

Highly Efficient All-Inorganic Planar Heterojunction Perovskite Solar Cells Produced by Thermal Coevaporation of CsI and PbI 2
journal, December 2016

  • Frolova, Lyubov A.; Anokhin, Denis V.; Piryazev, Alexey A.
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 1
  • DOI: 10.1021/acs.jpclett.6b02594

Calculating polaron mobility in halide perovskites
journal, November 2017


    Works referencing / citing this record:

    Polaron State at a Finite Temperature
    journal, September 1959


    The Raman Spectrum of the CH 3 NH 3 PbI 3 Hybrid Perovskite: Interplay of Theory and Experiment
    journal, December 2013

    • Quarti, Claudio; Grancini, Giulia; Mosconi, Edoardo
    • The Journal of Physical Chemistry Letters, Vol. 5, Issue 2
    • DOI: 10.1021/jz402589q

    Charge-Carrier Dynamics in Organic-Inorganic Metal Halide Perovskites
    journal, May 2016


    Carrier-induced change in refractive index of InP, GaAs and InGaAsP
    journal, January 1990

    • Bennett, B. R.; Soref, R. A.; Del Alamo, J. A.
    • IEEE Journal of Quantum Electronics, Vol. 26, Issue 1
    • DOI: 10.1109/3.44924

    Vibrational Response of Methylammonium Lead Iodide: From Cation Dynamics to Phonon-Phonon Interactions
    journal, September 2016

    • Ivanovska, Tanja; Quarti, Claudio; Grancini, Giulia
    • ChemSusChem, Vol. 9, Issue 20
    • DOI: 10.1002/cssc.201600932

    Long-Range Balanced Electron- and Hole-Transport Lengths in Organic-Inorganic CH3NH3PbI3
    journal, October 2013


    Mobility of Slow Electrons in a Polar Crystal
    journal, August 1962


    High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization
    journal, July 2015

    • Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Murali, Banavoth
    • Nature Communications, Vol. 6, Article No. 7586
    • DOI: 10.1038/ncomms8586

    Mobility of an electron in a multimode polar lattice
    journal, July 1999


    Slow Electrons in Polar Crystals: Self-Energy, Mass, and Mobility
    journal, November 1959


    Giant photostriction in organic–inorganic lead halide perovskites
    journal, April 2016

    • Zhou, Yang; You, Lu; Wang, Shiwei
    • Nature Communications, Vol. 7, Issue 1
    • DOI: 10.1038/ncomms11193

    Thermally Activated Exciton Dissociation and Recombination Control the Carrier Dynamics in Organometal Halide Perovskite
    journal, June 2014

    • Savenije, Tom J.; Ponseca, Carlito S.; Kunneman, Lucas
    • The Journal of Physical Chemistry Letters, Vol. 5, Issue 13
    • DOI: 10.1021/jz500858a

    Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics
    journal, January 2015

    • Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo
    • Physical Chemistry Chemical Physics, Vol. 17, Issue 14
    • DOI: 10.1039/c5cp00599j

    Hybrid perovskites for photovoltaics: Insights from first principles
    journal, March 2014


    Electrons in lattice fields
    journal, July 1954


    Highly Efficient All-Inorganic Planar Heterojunction Perovskite Solar Cells Produced by Thermal Coevaporation of CsI and PbI 2
    journal, December 2016

    • Frolova, Lyubov A.; Anokhin, Denis V.; Piryazev, Alexey A.
    • The Journal of Physical Chemistry Letters, Vol. 8, Issue 1
    • DOI: 10.1021/acs.jpclett.6b02594

    Role of Cations on the Electronic Transport and Optical Properties of Lead-Iodide Perovskites
    journal, July 2016

    • Berdiyorov, Golibjon R.; Kachmar, Ali; El-Mellouhi, Fedwa
    • The Journal of Physical Chemistry C, Vol. 120, Issue 30
    • DOI: 10.1021/acs.jpcc.6b01818

    Rationale for mixing exact exchange with density functional approximations
    journal, December 1996

    • Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
    • The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
    • DOI: 10.1063/1.472933

    Electron-Phonon Interaction and Charge Carrier Mass Enhancement in SrTiO 3
    journal, June 2008


    Intrinsic Charge Transport across Phase Transitions in Hybrid Organo-Inorganic Perovskites
    journal, May 2016


    Screening in crystalline liquids protects energetic carriers in hybrid perovskites
    journal, September 2016


    Low surface recombination velocity in solution-grown CH3NH3PbBr3 perovskite single crystal
    journal, August 2015

    • Yang, Ye; Yan, Yong; Yang, Mengjin
    • Nature Communications, Vol. 6, Issue 1
    • DOI: 10.1038/ncomms8961

    Principles of Chemical Bonding and Band Gap Engineering in Hybrid Organic–Inorganic Halide Perovskites
    journal, February 2015

    • Walsh, Aron
    • The Journal of Physical Chemistry C, Vol. 119, Issue 11
    • DOI: 10.1021/jp512420b

    Charge Carriers in Hybrid Organic–Inorganic Lead Halide Perovskites Might Be Protected as Large Polarons
    journal, November 2015


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


    Organic Cations Might Not Be Essential to the Remarkable Properties of Band Edge Carriers in Lead Halide Perovskites
    journal, October 2016


    Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation
    journal, October 2017

    • Miyata, Kiyoshi; Atallah, Timothy L.; Zhu, X. -Y.
    • Science Advances, Vol. 3, Issue 10
    • DOI: 10.1126/sciadv.1701469

    Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties
    journal, January 2016

    • Brenner, Thomas M.; Egger, David A.; Kronik, Leeor
    • Nature Reviews Materials, Vol. 1, Issue 1
    • DOI: 10.1038/natrevmats.2015.7

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

    • Walsh, Aron; Scanlon, David O.; Chen, Shiyou
    • Angewandte Chemie International Edition, Vol. 54, Issue 6
    • DOI: 10.1002/anie.201409740

    Broadband Emission in Two-Dimensional Hybrid Perovskites: The Role of Structural Deformation
    journal, December 2016

    • Cortecchia, Daniele; Neutzner, Stefanie; Srimath Kandada, Ajay Ram
    • Journal of the American Chemical Society, Vol. 139, Issue 1
    • DOI: 10.1021/jacs.6b10390

    Long-lived polarization memory in the electronic states of lead-halide perovskites from local structural dynamics
    journal, August 2018


    Deformation Potentials and Mobilities in Non-Polar Crystals
    journal, October 1950


    Intriguing Optoelectronic Properties of Metal Halide Perovskites
    journal, June 2016


    Electron-hole diffusion lengths > 175 μm in solution-grown CH 3 NH 3 PbI 3 single crystals
    journal, January 2015


    How Important Is the Organic Part of Lead Halide Perovskite Photovoltaic Cells? Efficient CsPbBr 3 Cells
    journal, June 2015

    • Kulbak, Michael; Cahen, David; Hodes, Gary
    • The Journal of Physical Chemistry Letters, Vol. 6, Issue 13
    • DOI: 10.1021/acs.jpclett.5b00968

    Femtosecond optical Kerr studies on the origin of the nonlinear responses in simple liquids
    journal, January 1988

    • McMorrow, D.; Lotshaw, W. T.; Kenney-Wallace, G. A.
    • IEEE Journal of Quantum Electronics, Vol. 24, Issue 2
    • DOI: 10.1109/3.144

    Persistent Energetic Electrons in Methylammonium Lead Iodide Perovskite Thin Films
    journal, November 2016

    • Niesner, Daniel; Zhu, Haiming; Miyata, Kiyoshi
    • Journal of the American Chemical Society, Vol. 138, Issue 48
    • DOI: 10.1021/jacs.6b08880

    Room-Temperature Coherent Optical Phonon in 2D Electronic Spectra of CH 3 NH 3 PbI 3 Perovskite as a Possible Cooling Bottleneck
    journal, June 2017

    • Monahan, Daniele M.; Guo, Liang; Lin, Jia
    • The Journal of Physical Chemistry Letters, Vol. 8, Issue 14
    • DOI: 10.1021/acs.jpclett.7b01357

    Metal halide perovskites for energy applications
    journal, May 2016


    Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles
    journal, January 2016

    • Zhao, Tianqi; Shi, Wen; Xi, Jinyang
    • Scientific Reports, Vol. 6, Issue 1
    • DOI: 10.1038/srep19968

    Mechanical properties of A Pb X 3 ( A = Cs or CH 3 NH 3 ; X = I or Br) perovskite single crystals
    journal, October 2015

    • Rakita, Yevgeny; Cohen, Sidney R.; Kedem, Nir Klein
    • MRS Communications, Vol. 5, Issue 4
    • DOI: 10.1557/mrc.2015.69

    Lead Halide Perovskite Photovoltaic as a Model pin Diode
    journal, January 2016


    Direct Experimental Evidence for Photoinduced Strong-Coupling Polarons in Organolead Halide Perovskite Nanoparticles
    journal, November 2016

    • Zheng, Kaibo; Abdellah, Mohamed; Zhu, Qiushi
    • The Journal of Physical Chemistry Letters, Vol. 7, Issue 22
    • DOI: 10.1021/acs.jpclett.6b02046

    Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite
    journal, June 2018

    • Park, Myeongkee; Neukirch, Amanda J.; Reyes-Lillo, Sebastian E.
    • Nature Communications, Vol. 9, Issue 1
    • DOI: 10.1038/s41467-018-04946-7

    Large polarons in lead halide perovskites
    text, January 2017

    • Miyata, Kiyoshi; Trinh, M. Tuan; Joshi, Prakriti Pradhan
    • Columbia University
    • DOI: 10.7916/d89s32wc

    Slow Electrons in a Polar Crystal
    journal, February 1955


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

    • Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa
    • Applied Physics Letters, Vol. 104, Issue 6
    • DOI: 10.1063/1.4864778

    Local Polar Fluctuations in Lead Halide Perovskite Crystals
    journal, March 2017


    Phonon–Electron Scattering Limits Free Charge Mobility in Methylammonium Lead Iodide Perovskites
    journal, December 2015

    • Karakus, Melike; Jensen, Søren A.; D’Angelo, Francesco
    • The Journal of Physical Chemistry Letters, Vol. 6, Issue 24
    • DOI: 10.1021/acs.jpclett.5b02485

    Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH 3 NH 3 PbI 3
    journal, November 2015


    Terahertz Conductivity within Colloidal CsPbBr 3 Perovskite Nanocrystals: Remarkably High Carrier Mobilities and Large Diffusion Lengths
    journal, July 2016


    Solution Synthesis Approach to Colloidal Cesium Lead Halide Perovskite Nanoplatelets with Monolayer-Level Thickness Control
    journal, January 2016

    • Akkerman, Quinten A.; Motti, Silvia Genaro; Srimath Kandada, Ajay Ram
    • Journal of the American Chemical Society, Vol. 138, Issue 3
    • DOI: 10.1021/jacs.5b12124

    Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites
    journal, January 2016


    Generalized Gradient Approximation Made Simple
    journal, October 1996

    • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
    • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
    • DOI: 10.1103/physrevlett.77.3865

    Electron–acoustic phonon coupling in single crystal CH3NH3PbI3 perovskites revealed by coherent acoustic phonons
    journal, February 2017

    • Mante, Pierre-Adrien; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
    • Nature Communications, Vol. 8, Issue 1
    • DOI: 10.1038/ncomms14398

    Extended carrier lifetimes and diffusion in hybrid perovskites revealed by Hall effect and photoconductivity measurements
    journal, August 2016


    Polaron Stabilization by Cooperative Lattice Distortion and Cation Rotations in Hybrid Perovskite Materials
    journal, May 2016


    High intrinsic carrier mobility and photon absorption in the perovskite CH 3 NH 3 PbI 3
    journal, January 2015

    • Wang, Youwei; Zhang, Yubo; Zhang, Peihong
    • Physical Chemistry Chemical Physics, Vol. 17, Issue 17
    • DOI: 10.1039/c5cp00448a

    Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals
    journal, January 2015


    Efficient Planar Heterojunction Perovskite Solar Cells Based on Formamidinium Lead Bromide
    journal, August 2014

    • Hanusch, Fabian C.; Wiesenmayer, Erwin; Mankel, Eric
    • The Journal of Physical Chemistry Letters, Vol. 5, Issue 16
    • DOI: 10.1021/jz501237m

    Low-Temperature Solution-Grown CsPbBr 3 Single Crystals and Their Characterization
    journal, September 2016

    • Rakita, Yevgeny; Kedem, Nir; Gupta, Satyajit
    • Crystal Growth & Design, Vol. 16, Issue 10
    • DOI: 10.1021/acs.cgd.6b00764

    Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting
    journal, May 2014

    • Amat, Anna; Mosconi, Edoardo; Ronca, Enrico
    • Nano Letters, Vol. 14, Issue 6
    • DOI: 10.1021/nl5012992

    Exploring the cation dynamics in lead-bromide hybrid perovskites
    journal, June 2016


    Perovskites for Solar Thermoelectric Applications: A First Principle Study of CH 3 NH 3 AI 3 (A = Pb and Sn)
    journal, August 2014

    • He, Yuping; Galli, Giulia
    • Chemistry of Materials, Vol. 26, Issue 18
    • DOI: 10.1021/cm5026766

    Ultrafast Optical Kerr Effect in Liquids and Solids
    journal, November 1993


    QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
    journal, September 2009

    • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
    • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
    • DOI: 10.1088/0953-8984/21/39/395502

    Revealing the nature of photoluminescence emission in the metal-halide double perovskite Cs 2 AgBiBr 6
    journal, January 2019

    • Zelewski, S. J.; Urban, J. M.; Surrente, A.
    • Journal of Materials Chemistry C, Vol. 7, Issue 27
    • DOI: 10.1039/c9tc02402f

    Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite
    journal, June 2018

    • Park, Myeongkee; Neukirch, Amanda J.; Reyes-Lillo, Sebastian E.
    • Nature Communications, Vol. 9, Issue 1
    • DOI: 10.1038/s41467-018-04946-7

    Long-lived polarization memory in the electronic states of lead-halide perovskites from local structural dynamics
    journal, August 2018


    Revealing the nature of photoluminescence emission in the metal-halide double perovskite Cs 2 AgBiBr 6
    journal, January 2019

    • Zelewski, S. J.; Urban, J. M.; Surrente, A.
    • Journal of Materials Chemistry C, Vol. 7, Issue 27
    • DOI: 10.1039/c9tc02402f

    Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation
    text, January 2017

    • Miyata, Kiyoshi; Atallah, Timothy Luke; Zhu, Xiaoyang
    • Columbia University
    • DOI: 10.7916/d8281kg3

    Intrinsic Carrier Mobility of Cesium Lead Halide Perovskites
    journal, October 2018


    Bismuth Doping–Induced Stable Seebeck Effect Based on MAPbI 3 Polycrystalline Thin Films
    journal, February 2019


    Quantifying Polaron Formation and Charge Carrier Cooling in Lead-Iodide Perovskites
    journal, May 2018

    • Bretschneider, Simon A.; Ivanov, Ivan; Wang, Hai I.
    • Advanced Materials, Vol. 30, Issue 29
    • DOI: 10.1002/adma.201707312

    Dynamic Screening and Slow Cooling of Hot Carriers in Lead Halide Perovskites
    journal, September 2018

    • Joshi, Prakriti Pradhan; Maehrlein, Sebastian F.; Zhu, Xiaoyang
    • Advanced Materials, Vol. 31, Issue 47
    • DOI: 10.1002/adma.201803054

    Direct Bandgap Behavior in Rashba-Type Metal Halide Perovskites
    journal, October 2018

    • Richter, Johannes M.; Chen, Kai; Sadhanala, Aditya
    • Advanced Materials, Vol. 30, Issue 52
    • DOI: 10.1002/adma.201803379

    Strategies to Improve Luminescence Efficiency of Metal‐Halide Perovskites and Light‐Emitting Diodes
    journal, September 2018

    • Kim, Young‐Hoon; Kim, Joo Sung; Lee, Tae‐Woo
    • Advanced Materials, Vol. 31, Issue 47
    • DOI: 10.1002/adma.201804595

    Defect Activity in Lead Halide Perovskites
    journal, September 2018

    • Motti, Silvia G.; Meggiolaro, Daniele; Martani, Samuele
    • Advanced Materials, Vol. 31, Issue 47
    • DOI: 10.1002/adma.201901183

    Surface‐2D/Bulk‐3D Heterophased Perovskite Nanograins for Long‐Term‐Stable Light‐Emitting Diodes
    journal, November 2019

    • Han, Tae‐Hee; Lee, Jin‐Wook; Choi, Yung Ji
    • Advanced Materials, Vol. 32, Issue 1
    • DOI: 10.1002/adma.201905674

    Recent Progress in Metal Halide Perovskite Micro‐ and Nanolasers
    journal, April 2019


    Light‐Ferroic Interaction in Hybrid Organic–Inorganic Perovskites
    journal, September 2019

    • Liu, Yongtao; Ievlev, Anton V.; Collins, Liam
    • Advanced Optical Materials, Vol. 7, Issue 23
    • DOI: 10.1002/adom.201901451

    Fundamental Thermoelectric Properties in Organic Heterojunctions from Molecular to Thin‐Film and Hybrid Designs
    journal, August 2019


    Correlating Phase Behavior with Photophysical Properties in Mixed‐Cation Mixed‐Halide Perovskite Thin Films
    journal, December 2019

    • Greenland, Claire; Shnier, Adam; Rajendran, Sai K.
    • Advanced Energy Materials, Vol. 10, Issue 4
    • DOI: 10.1002/aenm.201901350

    Charge Transport in Halide Perovskite Single Crystals: Experimental and Theoretical Perspectives
    journal, January 2019


    Light Generation in Lead Halide Perovskite Nanocrystals: LEDs, Color Converters, Lasers, and Other Applications
    journal, October 2019


    Inorganic Perovskite Solar Cells: A Rapidly Growing Field
    journal, January 2018


    Stabilizing the black phase of cesium lead halide inorganic perovskite for efficient solar cells
    journal, June 2019


    High spectral resolution of gamma-rays at room temperature by perovskite CsPbBr3 single crystals
    journal, April 2018


    Dipolar cations confer defect tolerance in wide-bandgap metal halide perovskites
    journal, August 2018


    Unraveling exciton–phonon coupling in individual FAPbI3 nanocrystals emitting near-infrared single photons
    journal, August 2018


    Suppressed phase separation of mixed-halide perovskites confined in endotaxial matrices
    journal, February 2019


    Ferroelectric large polarons
    journal, April 2018


    Large electrostrictive response in lead halide perovskites
    journal, September 2018


    Controlling competing photochemical reactions stabilizes perovskite solar cells
    journal, May 2019


    Unified theory of thermal transport in crystals and glasses
    journal, May 2019


    Metal halide perovskite nanostructures for optoelectronic applications and the study of physical properties
    journal, February 2019


    Large polaron formation and its effect on electron transport in hybrid perovskites
    journal, January 2019

    • Zheng, Fan; Wang, Lin-wang
    • Energy & Environmental Science, Vol. 12, Issue 4
    • DOI: 10.1039/c8ee03369b

    Mechanism suppressing charge recombination at iodine defects in CH 3 NH 3 PbI 3 by polaron formation
    journal, January 2018

    • Wiktor, Julia; Ambrosio, Francesco; Pasquarello, Alfredo
    • Journal of Materials Chemistry A, Vol. 6, Issue 35
    • DOI: 10.1039/c8ta06466k

    Hot carrier solar cells and the potential of perovskites for breaking the Shockley–Queisser limit
    journal, January 2019

    • Kahmann, Simon; Loi, Maria A.
    • Journal of Materials Chemistry C, Vol. 7, Issue 9
    • DOI: 10.1039/c8tc04641g

    Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite
    journal, January 2020

    • Uratani, Hiroki; Chou, Chien-Pin; Nakai, Hiromi
    • Physical Chemistry Chemical Physics, Vol. 22, Issue 1
    • DOI: 10.1039/c9cp04739e

    Organic molecule stabilized bismuth iodide nanoparticles: a hybrid system with multifunctional physical properties
    journal, January 2020

    • Ghosh, Sarit K.; Perla, Venkata K.; Mallick, Kaushik
    • Physical Chemistry Chemical Physics, Vol. 22, Issue 6
    • DOI: 10.1039/c9cp06183e

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

    • Mondal, Navendu; De, Apurba; Das, Somnath
    • Nanoscale, Vol. 11, Issue 20
    • DOI: 10.1039/c9nr01745c

    White light emission in low-dimensional perovskites
    journal, January 2019

    • Cortecchia, Daniele; Yin, Jun; Petrozza, Annamaria
    • Journal of Materials Chemistry C, Vol. 7, Issue 17
    • DOI: 10.1039/c9tc01036j

    Structural origins of the electronic properties of materials via time-resolved infrared spectroscopy
    journal, January 2019

    • Munson, Kyle T.; Kennehan, Eric R.; Asbury, John B.
    • Journal of Materials Chemistry C, Vol. 7, Issue 20
    • DOI: 10.1039/c9tc01348b

    Computational screening of methylammonium based halide perovskites with bandgaps suitable for perovskite-perovskite tandem solar cells
    journal, December 2018

    • Kar, M.; Körzdörfer, T.
    • The Journal of Chemical Physics, Vol. 149, Issue 21
    • DOI: 10.1063/1.5037535

    Verification and mitigation of ion migration in perovskite solar cells
    journal, April 2019

    • Lee, Jin-Wook; Kim, Seul-Gi; Yang, June-Mo
    • APL Materials, Vol. 7, Issue 4
    • DOI: 10.1063/1.5085643

    Photophysics of lead-free tin halide perovskite films and solar cells
    journal, August 2019

    • Handa, Taketo; Wakamiya, Atsushi; Kanemitsu, Yoshihiko
    • APL Materials, Vol. 7, Issue 8
    • DOI: 10.1063/1.5109704

    Trion dynamics in lead halide perovskite nanocrystals
    journal, November 2019

    • Kanemitsu, Yoshihiko
    • The Journal of Chemical Physics, Vol. 151, Issue 17
    • DOI: 10.1063/1.5125628

    Coherent charge-phonon correlations and exciton dynamics in orthorhombic CH 3 NH 3 PbI 3 measured by ultrafast multi-THz spectroscopy
    journal, December 2019

    • Lan, Yang; Tao, Xixi; Kong, Xianghua
    • The Journal of Chemical Physics, Vol. 151, Issue 21
    • DOI: 10.1063/1.5127992

    Coherent exciton-phonon coupling in perovskite semiconductor nanocrystals studied by two-dimensional electronic spectroscopy
    journal, December 2019

    • Zhao, Wei; Qin, Zhengyuan; Zhang, Chunfeng
    • Applied Physics Letters, Vol. 115, Issue 24
    • DOI: 10.1063/1.5130636

    Crystal structures and rotational dynamics of a two-dimensional metal halide perovskite (OA) 2 PbI 4
    journal, January 2020

    • Hu, Xiao; Zhang, Depei; Chen, Tianran
    • The Journal of Chemical Physics, Vol. 152, Issue 1
    • DOI: 10.1063/1.5131667

    Spectrally tunable infrared plasmonic F,Sn:In 2 O 3 nanocrystal cubes
    journal, January 2020

    • Cho, Shin Hum; Roccapriore, Kevin M.; Dass, Chandriker Kavir
    • The Journal of Chemical Physics, Vol. 152, Issue 1
    • DOI: 10.1063/1.5139050

    Radiative recombination of large polarons in halide perovskites
    journal, February 2019

    • Zhang, Mingliang; Zhang, Xu; Lin, Hai-Qing
    • Journal of Physics: Condensed Matter, Vol. 31, Issue 16
    • DOI: 10.1088/1361-648x/ab0158

    High open-circuit voltages in lead-halide perovskite solar cells: experiment, theory and open questions
    journal, July 2019

    • Kirchartz, Thomas
    • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2152
    • DOI: 10.1098/rsta.2018.0286

    Time- and momentum-resolved phonon population dynamics with ultrafast electron diffuse scattering
    journal, December 2019

    • René de Cotret, Laurent P.; Pöhls, Jan-Hendrik; Stern, Mark J.
    • Physical Review B, Vol. 100, Issue 21
    • DOI: 10.1103/physrevb.100.214115

    Ultrafast THz Probe of Photoinduced Polarons in Lead-Halide Perovskites
    journal, April 2019


    Enhanced screening and spectral diversity in many-body elastic scattering of excitons in two-dimensional hybrid metal-halide perovskites
    journal, December 2019


    Molecular behavior of zero-dimensional perovskites
    journal, December 2017

    • Yin, Jun; Maity, Partha; De Bastiani, Michele
    • Science Advances, Vol. 3, Issue 12
    • DOI: 10.1126/sciadv.1701793

    Ultrafast correlated charge and lattice motion in a hybrid metal halide perovskite
    journal, May 2019

    • Lan, Yang; Dringoli, Benjamin J.; Valverde-Chávez, David A.
    • Science Advances, Vol. 5, Issue 5
    • DOI: 10.1126/sciadv.aaw5558

    Long-living nonlinear behavior in CsPbBr3 carrier recombination dynamics
    journal, April 2019