Anisotropic carrier diffusion in single MAPbI 3 grains correlates to their twin domains

Hermes, Ilka M.; Best, Andreas; Winkelmann, Leonard; Mars, Julian; Vorpahl, Sarah M.; Mezger, Markus; Collins, Liam; Butt, Hans-Jürgen; Ginger, David S.; Koynov, Kaloian; Weber, Stefan A. L.

doi:10.1039/D0EE01016B

Title: Anisotropic carrier diffusion in single MAPbI ₃ grains correlates to their twin domains

Journal Article · Wed Jan 01 00:00:00 EST 2020 · Energy & Environmental Science

DOI:https://doi.org/10.1039/D0EE01016B· OSTI ID:1633130

^[1]; Best, Andreas ^[1]; Winkelmann, Leonard ^[2];

^[1]; Vorpahl, Sarah M. ^[3];

^[2]; Collins, Liam ^[4];

^[1]; Ginger, David S. ^[3]; Koynov, Kaloian ^[1];

^[2]

Max Planck Institute for Polymer Research, 55128 Mainz, Germany
Max Planck Institute for Polymer Research, 55128 Mainz, Germany, Institute of Physics, Johannes Gutenberg University Mainz
Department of Chemistry, University of Washington, Seattle, USA
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, USA

Polycrystalline thin films and single crystals of hybrid perovskites – a material group successfully used for photovoltaic and optoelectronic applications – reportedly display heterogeneous charge carrier dynamics often attributed to grain boundaries or crystalline strain. Here, we locally resolved the carrier diffusion in large, isolated methylammonium lead iodide (MAPbI₃) grains via spatial- and time-resolved photoluminescence microscopy. We found that the anisotropic carrier dynamics directly correlate with the arrangement of ferroelastic twin domains. Comparing diffusion constants parallel and perpendicular to the domains showed carriers diffuse around 50–60% faster along the parallel direction. Extensive piezoresponse force microscopy experiments on the nature of the domain pattern suggest that the diffusion anisotropy most likely originates from structural and electrical anomalies at ferroelastic domain walls. We believe that the domain walls act as shallow energetic barriers, which delay the transversal diffusion of carriers. Furthermore, we demonstrate a rearrangement of the domains via heat treatment above the cubic-tetragnal phase transition. Together with the previously reported strain engineering via external stress, our findings promise additional routes to tailor the directionality of the charge carrier diffusion in MAPbI₃-based photovoltaics and optoelectronics as well as other ferroelastic materials for optoelectronic applications.

View Journal Article

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725; SC0013957; ECC-1542101

OSTI ID:: 1633130

Alternate ID(s):: OSTI ID: 1661240

Journal Information:: Energy & Environmental Science, Journal Name: Energy & Environmental Science; ISSN 1754-5692

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (65)

Bulk crystal growth of hybrid perovskite material CH ₃ NH ₃ PbI ₃ Dang, Yangyang; Liu, Yang; Sun, Youxuan CrystEngComm, Vol. 17, Issue 3 https://doi.org/10.1039/C4CE02106A	journal	January 2015
Grain Boundaries Act as Solid Walls for Charge Carrier Diffusion in Large Crystal MAPI Thin Films Ciesielski, Richard; Schäfer, Frank; Hartmann, Nicolai F. ACS Applied Materials & Interfaces, Vol. 10, Issue 9 https://doi.org/10.1021/acsami.7b17938	journal	February 2018
The Role of Grain Boundaries in Perovskite Solar Cells Castro‐Méndez, Andrés‐Felipe; Hidalgo, Juanita; Correa‐Baena, Juan‐Pablo Advanced Energy Materials, Vol. 9, Issue 38 https://doi.org/10.1002/aenm.201901489	journal	August 2019
Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals Shi, D.; Adinolfi, V.; Comin, R. Science, Vol. 347, Issue 6221 https://doi.org/10.1126/science.aaa2725	journal	January 2015
Observation of Dirac-like energy band and ring-torus Fermi surface associated with the nodal line in topological insulator CaAgAs Takane, Daichi; Nakayama, Kosuke; Souma, Seigo npj Quantum Materials, Vol. 3, Issue 1 https://doi.org/10.1038/s41535-017-0074-z	journal	January 2018
Domains in Ferroic Crystals and Thin Films Tagantsev, Alexander K.; Cross, L. Eric; Fousek, Jan https://doi.org/10.1007/978-1-4419-1417-0	book	January 2010
First-Principles Study of Ferroelastic Twins in Halide Perovskites Warwick, Andrew R.; Íñiguez, Jorge; Haynes, Peter D. The Journal of Physical Chemistry Letters, Vol. 10, Issue 6 https://doi.org/10.1021/acs.jpclett.9b00202	journal	February 2019
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells Kojima, Akihiro; Teshima, Kenjiro; Shirai, Yasuo Journal of the American Chemical Society, Vol. 131, Issue 17, p. 6050-6051 https://doi.org/10.1021/ja809598r	journal	May 2009
Impact of Photon Recycling on the Open-Circuit Voltage of Metal Halide Perovskite Solar Cells Kirchartz, Thomas; Staub, Florian; Rau, Uwe ACS Energy Letters, Vol. 1, Issue 4 https://doi.org/10.1021/acsenergylett.6b00223	journal	September 2016
Dual-frequency resonance-tracking atomic force microscopy Rodriguez, Brian J.; Callahan, Clint; Kalinin, Sergei V. Nanotechnology, Vol. 18, Issue 47, Article No. 475504 https://doi.org/10.1088/0957-4484/18/47/475504	journal	October 2007
Local Crystal Misorientation Influences Non-radiative Recombination in Halide Perovskites Jariwala, Sarthak; Sun, Hongyu; Adhyaksa, Gede W. P. Joule, Vol. 3, Issue 12 https://doi.org/10.1016/j.joule.2019.09.001	journal	December 2019
The existence and impact of persistent ferroelectric domains in MAPbI ₃ Garten, Lauren M.; Moore, David T.; Nanayakkara, Sanjini U. Science Advances, Vol. 5, Issue 1 https://doi.org/10.1126/sciadv.aas9311	journal	January 2019
Role of Ferroelectric Nanodomains in the Transport Properties of Perovskite Solar Cells Pecchia, Alessandro; Gentilini, Desirée; Rossi, Daniele Nano Letters, Vol. 16, Issue 2 https://doi.org/10.1021/acs.nanolett.5b03957	journal	January 2016
Quantitative measurements of electromechanical response with a combined optical beam and interferometric atomic force microscope Labuda, Aleksander; Proksch, Roger Applied Physics Letters, Vol. 106, Issue 25 https://doi.org/10.1063/1.4922210	journal	June 2015
Ferroelectric Domain Wall Induced Band Gap Reduction and Charge Separation in Organometal Halide Perovskites Liu, Shi; Zheng, Fan; Koocher, Nathan Z. The Journal of Physical Chemistry Letters, Vol. 6, Issue 4 https://doi.org/10.1021/jz502666j	journal	February 2015
Visualizing Buried Local Carrier Diffusion in Halide Perovskite Crystals via Two-Photon Microscopy Stavrakas, Camille; Delport, Géraud; Zhumekenov, Ayan A. ACS Energy Letters, Vol. 5, Issue 1 https://doi.org/10.1021/acsenergylett.9b02244	journal	November 2019
Visualizing Carrier Diffusion in Individual Single-Crystal Organolead Halide Perovskite Nanowires and Nanoplates Tian, Wenming; Zhao, Chunyi; Leng, Jing Journal of the American Chemical Society, Vol. 137, Issue 39 https://doi.org/10.1021/jacs.5b08045	journal	September 2015
Limiting Perovskite Solar Cell Performance by Heterogeneous Carrier Extraction Tian, Wenming; Cui, Rongrong; Leng, Jing Angewandte Chemie International Edition, Vol. 55, Issue 42 https://doi.org/10.1002/anie.201606574	journal	October 2016
Solvent Annealing of Perovskite-Induced Crystal Growth for Photovoltaic-Device Efficiency Enhancement Xiao, Zhengguo; Dong, Qingfeng; Bi, Cheng Advanced Materials, Vol. 26, Issue 37 https://doi.org/10.1002/adma.201401685	journal	August 2014
Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells Frost, Jarvist M.; Butler, Keith T.; Brivio, Federico Nano Letters, Vol. 14, Issue 5 https://doi.org/10.1021/nl500390f	journal	April 2014
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Stoumpos, Constantinos C.; Malliakas, Christos D.; Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 52, Issue 15, p. 9019-9038 https://doi.org/10.1021/ic401215x	journal	July 2013
Physics and applications of charged domain walls Bednyakov, Petr S.; Sturman, Boris I.; Sluka, Tomas npj Computational Materials, Vol. 4, Issue 1 https://doi.org/10.1038/s41524-018-0121-8	journal	November 2018
Ferroelastic Materials Salje, Ekhard K. H. Annual Review of Materials Research, Vol. 42, Issue 1 https://doi.org/10.1146/annurev-matsci-070511-155022	journal	August 2012
Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K Weller, Mark T.; Weber, Oliver J.; Henry, Paul F. Chemical Communications, Vol. 51, Issue 20 https://doi.org/10.1039/C4CC09944C	journal	January 2015
Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9% Kim, Hui-Seon; Lee, Chang-Ryul; Im, Jeong-Hyeok Scientific Reports, Vol. 2, Issue 1 https://doi.org/10.1038/srep00591	journal	August 2012
Quantitative Electromechanical Atomic Force Microscopy Collins, Liam; Liu, Yongtao; Ovchinnikova, Olga S. ACS Nano, Vol. 13, Issue 7 https://doi.org/10.1021/acsnano.9b02883	journal	July 2019
Spatial and temporal imaging of long-range charge transport in perovskite thin films by ultrafast microscopy Guo, Zhi; Manser, Joseph S.; Wan, Yan Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8471	journal	June 2015
On the importance of ferroelectric domains for the performance of perovskite solar cells Rossi, Daniele; Pecchia, Alessandro; Maur, Matthias Auf der Nano Energy, Vol. 48 https://doi.org/10.1016/j.nanoen.2018.02.049	journal	June 2018
Exploration of the compositional space for mixed lead halogen perovskites for high efficiency solar cells Jesper Jacobsson, T.; Correa-Baena, Juan-Pablo; Pazoki, Meysam Energy & Environmental Science, Vol. 9, Issue 5 https://doi.org/10.1039/C6EE00030D	journal	January 2016
Screened Charge Carrier Transport in Methylammonium Lead Iodide Perovskite Thin Films Hill, Andrew H.; Smyser, Kori E.; Kennedy, Casey L. The Journal of Physical Chemistry Letters, Vol. 8, Issue 5 https://doi.org/10.1021/acs.jpclett.7b00046	journal	February 2017
Dynamic behavior of CH ₃ NH ₃ PbI ₃ perovskite twin domains Liu, Yongtao; Collins, Liam; Belianinov, Alex Applied Physics Letters, Vol. 113, Issue 7 https://doi.org/10.1063/1.5041256	journal	August 2018
Scanning Probe Microscopy Kalinin, Sergei; Gruverman, Alexei Springer New York, NY https://doi.org/10.1007/978-0-387-28668-6	book	January 2007
Direct Mapping of Phase Separation across the Metal–Insulator Transition of NdNiO ₃ Preziosi, Daniele; Lopez-Mir, Laura; Li, Xiaoyan Nano Letters, Vol. 18, Issue 4 https://doi.org/10.1021/acs.nanolett.7b04728	journal	March 2018
Grain-Size-Limited Mobility in Methylammonium Lead Iodide Perovskite Thin Films Reid, Obadiah G.; Yang, Mengjin; Kopidakis, Nikos ACS Energy Letters, Vol. 1, Issue 3 https://doi.org/10.1021/acsenergylett.6b00288	journal	August 2016
Subgrain Special Boundaries in Halide Perovskite Thin Films Restrict Carrier Diffusion Li, Wenhao; Yadavalli, Srinivas K.; Lizarazo-Ferro, David ACS Energy Letters, Vol. 3, Issue 11 https://doi.org/10.1021/acsenergylett.8b01704	journal	October 2018
Piezoresponse force microscopy (PFM) Soergel, Elisabeth Journal of Physics D: Applied Physics, Vol. 44, Issue 46, Article No. 464003 https://doi.org/10.1088/0022-3727/44/46/464003	journal	November 2011
Enhancing photoluminescence yields in lead halide perovskites by photon recycling and light out-coupling Richter, Johannes M.; Abdi-Jalebi, Mojtaba; Sadhanala, Aditya Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13941	journal	December 2016
Dielectric Response: Answer to Many Questions in the Methylammonium Lead Halide Solar Cell Absorbers Anusca, Irina; Balčiūnas, Sergejus; Gemeiner, Pascale Advanced Energy Materials, Vol. 7, Issue 19 https://doi.org/10.1002/aenm.201700600	journal	May 2017
Bright Visible-Infrared Light Emitting Diodes Based on Hybrid Halide Perovskite with Spiro-OMeTAD as a Hole-Injecting Layer Jaramillo-Quintero, Oscar A.; Sanchez, Rafael S.; Rincon, Marina The Journal of Physical Chemistry Letters, Vol. 6, Issue 10 https://doi.org/10.1021/acs.jpclett.5b00732	journal	May 2015
Charge-Carrier Dynamics in Organic-Inorganic Metal Halide Perovskites Herz, Laura M. Annual Review of Physical Chemistry, Vol. 67, Issue 1 https://doi.org/10.1146/annurev-physchem-040215-112222	journal	May 2016
Orientation of Ferroelectric Domains and Disappearance upon Heating Methylammonium Lead Triiodide Perovskite from Tetragonal to Cubic Phase Vorpahl, Sarah M.; Giridharagopal, Rajiv; Eperon, Giles E. ACS Applied Energy Materials, Vol. 1, Issue 4 https://doi.org/10.1021/acsaem.7b00330	journal	March 2018
Ferroelastic Fingerprints in Methylammonium Lead Iodide Perovskite Hermes, Ilka M.; Bretschneider, Simon A.; Bergmann, Victor W. The Journal of Physical Chemistry C, Vol. 120, Issue 10 https://doi.org/10.1021/acs.jpcc.5b11469	journal	January 2016
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber Stranks, S. D.; Eperon, G. E.; Grancini, G. Science, Vol. 342, Issue 6156, p. 341-344 https://doi.org/10.1126/science.1243982	journal	October 2013
Hybrid Perovskites for Photovoltaics: Charge-Carrier Recombination, Diffusion, and Radiative Efficiencies Johnston, Michael B.; Herz, Laura M. Accounts of Chemical Research, Vol. 49, Issue 1 https://doi.org/10.1021/acs.accounts.5b00411	journal	December 2015
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites Lee, M. M.; Teuscher, J.; Miyasaka, T. Science, Vol. 338, Issue 6107, p. 643-647 https://doi.org/10.1126/science.1228604	journal	October 2012
Understanding the Implication of Carrier Diffusion Length in Photovoltaic Cells Hodes, Gary; Kamat, Prashant V. The Journal of Physical Chemistry Letters, Vol. 6, Issue 20 https://doi.org/10.1021/acs.jpclett.5b02052	journal	September 2015
Tracking Photoexcited Carriers in Hybrid Perovskite Semiconductors: Trap-Dominated Spatial Heterogeneity and Diffusion deQuilettes, Dane W.; Jariwala, Sarthak; Burke, Sven ACS Nano, Vol. 11, Issue 11 https://doi.org/10.1021/acsnano.7b06242	journal	September 2017
Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite Liu, Yongtao; Collins, Liam; Proksch, Roger Nature Materials, Vol. 17, Issue 11 https://doi.org/10.1038/s41563-018-0152-z	journal	August 2018
Ferroelastic domains drive charge separation and suppress electron–hole recombination in all-inorganic halide perovskites: time-domain ab initio analysis Shi, Ran; Zhang, Zhaosheng; Fang, Wei-hai Nanoscale Horizons, Vol. 5, Issue 4 https://doi.org/10.1039/C9NH00717B	journal	January 2020
Piezoresponse force microscopy and recent advances in nanoscale studies of ferroelectrics Gruverman, A.; Kalinin, S. V. Journal of Materials Science, Vol. 41, Issue 1 https://doi.org/10.1007/s10853-005-5946-0	journal	January 2006
Probing the Microstructure of Methylammonium Lead Iodide Perovskite Solar Cells Leonhard, Tobias; Schulz, Alexander D.; Röhm, Holger Energy Technology, Vol. 7, Issue 3 https://doi.org/10.1002/ente.201800989	journal	March 2019
Photon recycling in lead iodide perovskite solar cells Pazos-Outon, L. M.; Szumilo, M.; Lamboll, R. Science, Vol. 351, Issue 6280 https://doi.org/10.1126/science.aaf1168	journal	March 2016
Photon Reabsorption Masks Intrinsic Bimolecular Charge-Carrier Recombination in CH ₃ NH ₃ PbI ₃ Perovskite Crothers, Timothy W.; Milot, Rebecca L.; Patel, Jay B. Nano Letters, Vol. 17, Issue 9 https://doi.org/10.1021/acs.nanolett.7b02834	journal	August 2017
Ferroelectric domains in methylammonium lead iodide perovskite thin-films Röhm, Holger; Leonhard, Tobias; Hoffmann, Michael J. Energy & Environmental Science, Vol. 10, Issue 4 https://doi.org/10.1039/C7EE00420F	journal	January 2017
Insight into Photon Recycling in Perovskite Semiconductors from the Concept of Photon Diffusion Ansari-Rad, Mehdi; Bisquert, Juan Physical Review Applied, Vol. 10, Issue 3 https://doi.org/10.1103/PhysRevApplied.10.034062	journal	September 2018
Direct observation of intrinsic twin domains in tetragonal CH3NH3PbI3 Rothmann, Mathias Uller; Li, Wei; Zhu, Ye Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14547	journal	February 2017
CH ₃ NH ₃ PbI ₃ perovskites: Ferroelasticity revealed Strelcov, Evgheni; Dong, Qingfeng; Li, Tao Science Advances, Vol. 3, Issue 4 https://doi.org/10.1126/sciadv.1602165	journal	April 2017
Dynamic Optical Properties of CH ₃ NH ₃ PbI ₃ Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang Journal of the American Chemical Society, Vol. 137, Issue 33 https://doi.org/10.1021/jacs.5b04503	journal	August 2015
Polarization Switching and Light-Enhanced Piezoelectricity in Lead Halide Perovskites Coll, Mariona; Gomez, Andrés; Mas-Marza, Elena The Journal of Physical Chemistry Letters, Vol. 6, Issue 8 https://doi.org/10.1021/acs.jpclett.5b00502	journal	April 2015
Ferroelectricity-free lead halide perovskites Gómez, Andrés; Wang, Qiong; Goñi, Alejandro R. Energy & Environmental Science, Vol. 12, Issue 8 https://doi.org/10.1039/C9EE00884E	journal	January 2019
An interface stabilized perovskite solar cell with high stabilized efficiency and low voltage loss Yoo, Jason J.; Wieghold, Sarah; Sponseller, Melany C. Energy & Environmental Science, Vol. 12, Issue 7 https://doi.org/10.1039/C9EE00751B	journal	January 2019
Defect Tolerance in Methylammonium Lead Triiodide Perovskite Steirer, K. Xerxes; Schulz, Philip; Teeter, Glenn ACS Energy Letters, Vol. 1, Issue 2 https://doi.org/10.1021/acsenergylett.6b00196	journal	July 2016
Local Versus Long-Range Diffusion Effects of Photoexcited States on Radiative Recombination in Organic-Inorganic Lead Halide Perovskites Vrućinić, Milan; Matthiesen, Clemens; Sadhanala, Aditya Advanced Science, Vol. 2, Issue 9 https://doi.org/10.1002/advs.201500136	journal	July 2015
Hybrid Perovskite-Based Position-Sensitive Detectors Ashar, A. Z.; Ganesh, N.; Narayan, K. S. Advanced Electronic Materials, Vol. 4, Issue 2 https://doi.org/10.1002/aelm.201700362	journal	December 2017
Contactless Visualization of Fast Charge Carrier Diffusion in Hybrid Halide Perovskite Thin Films Handloser, Kathrin; Giesbrecht, Nadja; Bein, Thomas ACS Photonics, Vol. 3, Issue 2 https://doi.org/10.1021/acsphotonics.5b00562	journal	January 2016

Similar Records

Orientation of Ferroelectric Domains and Disappearance upon Heating Methylammonium Lead Triiodide Perovskite from Tetragonal to Cubic Phase

Journal Article · Wed Mar 14 00:00:00 EDT 2018 · ACS Applied Energy Materials · OSTI ID:1633130

Vorpahl, Sarah M.; Giridharagopal, Rajiv; Eperon, Giles E.; +3 more

The existence and impact of persistent ferroelectric domains in MAPbI₃

Journal Article · Fri Jan 25 00:00:00 EST 2019 · Science Advances · OSTI ID:1633130

Garten, Lauren M.; Moore, David T.; Nanayakkara, Sanjini U.; +8 more

Dynamic behavior of CH₃NH₃PbI₃ perovskite twin domains

Journal Article · Mon Aug 13 00:00:00 EDT 2018 · Applied Physics Letters · OSTI ID:1633130

Liu, Yongtao; Collins, Liam F.; Belianinov, Alex; +9 more

Related Subjects

36 MATERIALS SCIENCE

Title: Anisotropic carrier diffusion in single MAPbI 3 grains correlates to their twin domains

Citation Formats

References (65)

Similar Records

Related Subjects

Title: Anisotropic carrier diffusion in single MAPbI ₃ grains correlates to their twin domains