Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells

Tan, Shaun; Yavuz, Ilhan; De Marco, Nicholas; Huang, Tianyi; Lee, Sung‐Joon; Choi, Christopher S.; Wang, Minhuan; Nuryyeva, Selbi; Wang, Rui; Zhao, Yepin; Wang, Hao‐Cheng; Han, Tae‐Hee; Dunn, Bruce; Huang, Yu; Lee, Jin‐Wook; Yang, Yang

doi:10.1002/adma.201906995

Title: Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells

Journal Article · Tue Feb 04 00:00:00 EST 2020 · Advanced Materials

DOI:https://doi.org/10.1002/adma.201906995· OSTI ID:1597115

Tan, Shaun ^[1]; Yavuz, Ilhan ^[2]; De Marco, Nicholas ^[1]; Huang, Tianyi ^[1]; Lee, Sung‐Joon ^[1]; Choi, Christopher S. ^[1]; Wang, Minhuan ^[1]; Nuryyeva, Selbi ^[1]; Wang, Rui ^[1]; Zhao, Yepin ^[1]; Wang, Hao‐Cheng ^[1]; Han, Tae‐Hee ^[3]; Dunn, Bruce ^[1]; Huang, Yu ^[1];

^[4];

^[1]

Univ. of California, Los Angeles, CA (United States)
Marmara Univ., Istanbul (Turkey)
Univ. of California, Los Angeles, CA (United States); Hanyang Univ., Seoul (Korea, Republic of)
Univ. of California, Los Angeles, CA (United States); Sungkyunkwan Univ., Suwon (Republic of Korea)

The operational instability of perovskite solar cells (PSCs) is known to mainly originate from the migration of ionic species (or charged defects) under a potential gradient. Compositional engineering of the “A” site cation of the ABX3 perovskite structure has been shown to be an effective route to improve the stability of PSCs. Here, the effect of size-mismatch-induced lattice distortions on the ion migration energetics and operational stability of PSCs is investigated. It is observed that the size mismatch of the mixed “A” site composition films and devices leads to a steric effect to impede the migration pathways of ions to increase the activation energy of ion migration, which is demonstrated through multiple theoretical and experimental evidence. Consequently, the mixed composition devices exhibit significantly improved thermal stability under continuous heating at 85 °C and operational stability under continuous 1 sun illumination, with an extrapolated lifetime of 2011 h, compared to the 222 h of the reference device.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Univ. of California, Los Angeles, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office

Grant/Contract Number:: EE0008751

OSTI ID:: 1597115

Alternate ID(s):: OSTI ID: 1597163; OSTI ID: 1668456

Journal Information:: Advanced Materials, Vol. 32, Issue 11; ISSN 0935-9648

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 120 works

Citation information provided by
Web of Science

References (64)

Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells Noh, Jun Hong; Im, Sang Hyuk; Heo, Jin Hyuck Nano Letters, Vol. 13, Issue 4, p. 1764-1769 https://doi.org/10.1021/nl400349b	journal	March 2013
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Ionic transport in hybrid lead iodide perovskite solar cells Eames, Christopher; Frost, Jarvist M.; Barnes, Piers R. F. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8497	journal	June 2015
Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys Li, Zhen; Yang, Mengjin; Park, Ji-Sang Chemistry of Materials, Vol. 28, Issue 1 https://doi.org/10.1021/acs.chemmater.5b04107	journal	December 2015
Self-formed grain boundary healing layer for highly efficient CH3NH3PbI3 perovskite solar cells Son, Dae-Yong; Lee, Jin-Wook; Choi, Yung Ji Nature Energy, Vol. 1, Issue 7 https://doi.org/10.1038/nenergy.2016.81	journal	June 2016
Surface passivation of perovskite film for efficient solar cells Jiang, Qi; Zhao, Yang; Zhang, Xingwang Nature Photonics, Vol. 13, Issue 7 https://doi.org/10.1038/s41566-019-0398-2	journal	April 2019
Light and oxygen induced degradation limits the operational stability of methylammonium lead triiodide perovskite solar cells Bryant, Daniel; Aristidou, Nicholas; Pont, Sebastian Energy & Environmental Science, Vol. 9, Issue 5 https://doi.org/10.1039/C6EE00409A	journal	January 2016
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
High-Efficiency Perovskite Solar Cells Based on the Black Polymorph of HC(NH ₂ ) ₂ PbI ₃ Lee, Jin-Wook; Seol, Dong-Jin; Cho, An-Na Advanced Materials, Vol. 26, Issue 29 https://doi.org/10.1002/adma.201401137	journal	June 2014
Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Whitfield, P. S.; Herron, N.; Guise, W. E. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep35685	journal	October 2016
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin–Orbit Coupling and Octahedra Tilting Amat, Anna; Mosconi, Edoardo; Ronca, Enrico Nano Letters, Vol. 14, Issue 6 https://doi.org/10.1021/nl5012992	journal	May 2014
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
Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells Yang, Woon Seok; Park, Byung-Wook; Jung, Eui Hyuk Science, Vol. 356, Issue 6345 https://doi.org/10.1126/science.aan2301	journal	June 2017
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
Stabilization of Organic-Inorganic Perovskite Layers by Partial Substitution of Iodide by Bromide in Methylammonium Lead Iodide Ruess, Raffael; Benfer, Felix; Böcher, Felix ChemPhysChem, Vol. 17, Issue 10 https://doi.org/10.1002/cphc.201501168	journal	March 2016
A Bifunctional Lewis Base Additive for Microscopic Homogeneity in Perovskite Solar Cells Lee, Jin-Wook; Bae, Sang-Hoon; Hsieh, Yao-Tsung Chem, Vol. 3, Issue 2 https://doi.org/10.1016/j.chempr.2017.05.020	journal	August 2017
Hybrid Germanium Iodide Perovskite Semiconductors: Active Lone Pairs, Structural Distortions, Direct and Indirect Energy Gaps, and Strong Nonlinear Optical Properties Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J. Journal of the American Chemical Society, Vol. 137, Issue 21 https://doi.org/10.1021/jacs.5b01025	journal	May 2015
Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation Azpiroz, Jon M.; Mosconi, Edoardo; Bisquert, Juan Energy & Environmental Science, Vol. 8, Issue 7 https://doi.org/10.1039/C5EE01265A	journal	January 2015
Tuning CH ₃ NH ₃ Pb(I _1−x Br _x ) ₃ perovskite oxygen stability in thin films and solar cells Pont, Sebastian; Bryant, Daniel; Lin, Chieh-Ting Journal of Materials Chemistry A, Vol. 5, Issue 20 https://doi.org/10.1039/C7TA00058H	journal	January 2017
Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells Eperon, Giles E.; Stranks, Samuel D.; Menelaou, Christopher Energy & Environmental Science, Vol. 7, Issue 3 https://doi.org/10.1039/c3ee43822h	journal	January 2014
Large guanidinium cation mixed with methylammonium in lead iodide perovskites for 19% efficient solar cells Jodlowski, Alexander D.; Roldán-Carmona, Cristina; Grancini, Giulia Nature Energy, Vol. 2, Issue 12 https://doi.org/10.1038/s41560-017-0054-3	journal	December 2017
Structural absorption by barbule microstructures of super black bird of paradise feathers McCoy, Dakota E.; Feo, Teresa; Harvey, Todd Alan Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-017-02088-w	journal	January 2018
Perovskite Solar Cell Stability in Humid Air: Partially Reversible Phase Transitions in the PbI ₂ -CH ₃ NH ₃ I-H ₂ O System Song, Zhaoning; Abate, Antonio; Watthage, Suneth C. Advanced Energy Materials, Vol. 6, Issue 19 https://doi.org/10.1002/aenm.201600846	journal	July 2016
Bias-dependent degradation of various solar cells: lessons for stability of perovskite photovoltaics Khenkin, Mark V.; K. M., Anoop; Katz, Eugene A. Energy & Environmental Science, Vol. 12, Issue 2 https://doi.org/10.1039/C8EE03475C	journal	January 2019
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Efficient and stable solution-processed planar perovskite solar cells via contact passivation Tan, Hairen; Jain, Ankit; Voznyy, Oleksandr Science, Vol. 355, Issue 6326 https://doi.org/10.1126/science.aai9081	journal	February 2017
Mixed-Organic-Cation Perovskite Photovoltaics for Enhanced Solar-Light Harvesting Pellet, Norman; Gao, Peng; Gregori, Giuliano Angewandte Chemie International Edition, Vol. 53, Issue 12, p. 3151-3157 https://doi.org/10.1002/anie.201309361	journal	February 2014
Investigation of CH ₃ NH ₃ PbI ₃ Degradation Rates and Mechanisms in Controlled Humidity Environments Using in Situ Techniques Yang, Jinli; Siempelkamp, Braden D.; Liu, Dianyi ACS Nano, Vol. 9, Issue 2 https://doi.org/10.1021/nn506864k	journal	January 2015
Ionic Reactivity at Contacts and Aging of Methylammonium Lead Triiodide Perovskite Solar Cells Carrillo, Jordi; Guerrero, Antonio; Rahimnejad, Sara Advanced Energy Materials, Vol. 6, Issue 9 https://doi.org/10.1002/aenm.201502246	journal	February 2016
A Gradient Heterostructure Based on Tolerance Factor in High-Performance Perovskite Solar Cells with 0.84 Fill Factor Qiao, Hong Wei; Yang, Shuang; Wang, Yun Advanced Materials, Vol. 31, Issue 5 https://doi.org/10.1002/adma.201804217	journal	November 2018
Formamidinium and Cesium Hybridization for Photo- and Moisture-Stable Perovskite Solar Cell Lee, Jin-Wook; Kim, Deok-Hwan; Kim, Hui-Seon Advanced Energy Materials, Vol. 5, Issue 20 https://doi.org/10.1002/aenm.201501310	journal	September 2015
Entropic stabilization of mixed A-cation ABX ₃ metal halide perovskites for high performance perovskite solar cells Yi, Chenyi; Luo, Jingshan; Meloni, Simone Energy & Environmental Science, Vol. 9, Issue 2 https://doi.org/10.1039/C5EE03255E	journal	January 2016
Improved Phase Stability of Formamidinium Lead Triiodide Perovskite by Strain Relaxation Zheng, Xiaojia; Wu, Congcong; Jha, Shikhar K. ACS Energy Letters, Vol. 1, Issue 5 https://doi.org/10.1021/acsenergylett.6b00457	journal	October 2016
Light-activated photocurrent degradation and self-healing in perovskite solar cells Nie, Wanyi; Blancon, Jean-Christophe; Neukirch, Amanda J. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11574	journal	May 2016
Transformation of the Excited State and Photovoltaic Efficiency of CH ₃ NH ₃ PbI ₃ Perovskite upon Controlled Exposure to Humidified Air Christians, Jeffrey A.; Miranda Herrera, Pierre A.; Kamat, Prashant V. Journal of the American Chemical Society, Vol. 137, Issue 4 https://doi.org/10.1021/ja511132a	journal	January 2015
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Charging up Stationary Energy Storage Sutherland, Brandon R. Joule, Vol. 3, Issue 1 https://doi.org/10.1016/j.joule.2018.12.022	journal	January 2019
Iodine Migration and Degradation of Perovskite Solar Cells Enhanced by Metallic Electrodes Besleaga, Cristina; Abramiuc, Laura Elena; Stancu, Viorica The Journal of Physical Chemistry Letters, Vol. 7, Issue 24 https://doi.org/10.1021/acs.jpclett.6b02375	journal	November 2016
Not All That Glitters Is Gold: Metal-Migration-Induced Degradation in Perovskite Solar Cells Domanski, Konrad; Correa-Baena, Juan-Pablo; Mine, Nicolas ACS Nano, Vol. 10, Issue 6 https://doi.org/10.1021/acsnano.6b02613	journal	May 2016
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Unusual defect physics in CH ₃ NH ₃ PbI ₃ perovskite solar cell absorber Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa Applied Physics Letters, Vol. 104, Issue 6 https://doi.org/10.1063/1.4864778	journal	February 2014
Mixed-Organic-Cation Perovskite Photovoltaics for Enhanced Solar-Light Harvesting Pellet, Norman; Gao, Peng; Gregori, Giuliano Angewandte Chemie, Vol. 126, Issue 12 https://doi.org/10.1002/ange.201309361	journal	February 2014
Caffeine Improves the Performance and Thermal Stability of Perovskite Solar Cells Wang, Rui; Xue, Jingjing; Meng, Lei Joule, Vol. 3, Issue 6 https://doi.org/10.1016/j.joule.2019.04.005	journal	June 2019
Sequential deposition as a route to high-performance perovskite-sensitized solar cells Burschka, Julian; Pellet, Norman; Moon, Soo-Jin Nature, Vol. 499, Issue 7458, p. 316-319 https://doi.org/10.1038/nature12340	journal	July 2013
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020
Crystalline Liquid-like Behavior: Surface-Induced Secondary Grain Growth of Photovoltaic Perovskite Thin Film Xue, Jingjing; Wang, Rui; Wang, Kai-Li Journal of the American Chemical Society, Vol. 141, Issue 35 https://doi.org/10.1021/jacs.9b06940	journal	August 2019
Interface and Defect Engineering for Metal Halide Perovskite Optoelectronic Devices Han, Tae‐Hee; Tan, Shaun; Xue, Jingjing Advanced Materials, Vol. 31, Issue 47 https://doi.org/10.1002/adma.201803515	journal	September 2018
Solid-state principles applied to organic–inorganic perovskites: new tricks for an old dog Kieslich, Gregor; Sun, Shijing; Cheetham, Anthony K. Chem. Sci., Vol. 5, Issue 12 https://doi.org/10.1039/C4SC02211D	journal	January 2014
Trapped charge-driven degradation of perovskite solar cells Ahn, Namyoung; Kwak, Kwisung; Jang, Min Seok Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13422	journal	November 2016
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Intrinsic Thermal Instability of Methylammonium Lead Trihalide Perovskite Conings, Bert; Drijkoningen, Jeroen; Gauquelin, Nicolas Advanced Energy Materials, Vol. 5, Issue 15 https://doi.org/10.1002/aenm.201500477	journal	June 2015
Cesium-containing triple cation perovskite solar cells: improved stability, reproducibility and high efficiency Saliba, Michael; Matsui, Taisuke; Seo, Ji-Youn Energy & Environmental Science, Vol. 9, Issue 6 https://doi.org/10.1039/C5EE03874J	journal	January 2016
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
Efficient and Stable Inverted Perovskite Solar Cells Incorporating Secondary Amines Chen, Hao; Wei, Qi; Saidaminov, Makhsud I. Advanced Materials, Vol. 31, Issue 46 https://doi.org/10.1002/adma.201903559	journal	September 2019
Light-Induced Anion Phase Segregation in Mixed Halide Perovskites Brennan, Michael C.; Draguta, Sergiu; Kamat, Prashant V. ACS Energy Letters, Vol. 3, Issue 1 https://doi.org/10.1021/acsenergylett.7b01151	journal	November 2017
Effect of Bromine Substitution on the Ion Migration and Optical Absorption in MAPbI ₃ Perovskite Solar Cells: The First-Principles Study Lin, Chundan; Li, Siyuan; Zhang, Wansong ACS Applied Energy Materials, Vol. 1, Issue 3 https://doi.org/10.1021/acsaem.8b00026	journal	February 2018
Semiempirical GGA-type density functional constructed with a long-range dispersion correction Grimme, Stefan Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799 https://doi.org/10.1002/jcc.20495	journal	January 2006
Incorporation of rubidium cations into perovskite solar cells improves photovoltaic performance Saliba, M.; Matsui, T.; Domanski, K. Science, Vol. 354, Issue 6309 https://doi.org/10.1126/science.aah5557	journal	September 2016
First-Principles Study of Ion Diffusion in Perovskite Solar Cell Sensitizers Haruyama, Jun; Sodeyama, Keitaro; Han, Liyuan Journal of the American Chemical Society, Vol. 137, Issue 32 https://doi.org/10.1021/jacs.5b03615	journal	August 2015
Migration of cations induces reversible performance losses over day/night cycling in perovskite solar cells Domanski, Konrad; Roose, Bart; Matsui, Taisuke Energy & Environmental Science, Vol. 10, Issue 2 https://doi.org/10.1039/C6EE03352K	journal	January 2017
Effect of Electron-Transport Material on Light-Induced Degradation of Inverted Planar Junction Perovskite Solar Cells Akbulatov, Azat F.; Frolova, Lyubov A.; Griffin, Monroe P. Advanced Energy Materials, Vol. 7, Issue 19 https://doi.org/10.1002/aenm.201700476	journal	June 2017
Modulation of photovoltage in mesoscopic perovskite solar cell by controlled interfacial electron injection Kang, Hyun-Woo; Lee, Jin-Wook; Son, Dae-Yong RSC Advances, Vol. 5, Issue 59 https://doi.org/10.1039/C5RA05497D	journal	January 2015
Systematic investigation of the impact of operation conditions on the degradation behaviour of perovskite solar cells Domanski, Konrad; Alharbi, Essa A.; Hagfeldt, Anders Nature Energy, Vol. 3, Issue 1 https://doi.org/10.1038/s41560-017-0060-5	journal	January 2018
Partial cation substitution reduces iodide ion transport in lead iodide perovskite solar cells Ferdani, Dominic W.; Pering, Samuel R.; Ghosh, Dibyajyoti Energy & Environmental Science, Vol. 12, Issue 7 https://doi.org/10.1039/C9EE00476A	journal	January 2019

Figures / Tables (8)

Similar Records

Molecular Interaction Regulates the Performance and Longevity of Defect Passivation for Metal Halide Perovskite Solar Cells

Journal Article · Mon Nov 16 00:00:00 EST 2020 · Journal of the American Chemical Society · OSTI ID:1597115

Zhao, Yepin; Zhu, Pengchen; Huang, Shu; +14 more

Shallow Iodine Defects Accelerate the Degradation of α-Phase Formamidinium Perovskite

Journal Article · Sun Nov 01 00:00:00 EDT 2020 · Joule · OSTI ID:1597115

Tan, Shaun; Yavuz, Ilhan; Weber, Marc H.; +11 more

Improving Thermal Stability of Perovskite Solar Cells by Suppressing Ion Migration Using Copolymer Grain Encapsulation

Journal Article · Fri Jul 23 00:00:00 EDT 2021 · Chemistry of Materials · OSTI ID:1597115

Zhou, Yuchen; Yin, Yifan; Zuo, Xianghao; +10 more

Related Subjects

14 SOLAR ENERGY
acetamidinium
ion migration
perovskite solar cells
stability
steric engineering

Title: Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells

Citation Formats

References (64)

Figures / Tables (8)

Similar Records

Related Subjects