Stability-limiting heterointerfaces of perovskite photovoltaics
Abstract
Optoelectronic devices consist of heterointerfaces formed between dissimilar semiconducting materials. The relative energy level alignment between contacting semiconductors determinately affects the heterointerface charge injection and extraction dynamics. For perovskite solar cells (PSCs), the heterointerface between the top perovskite surface and a charge-transporting material (CTM) is often treated for defect passivation to improve PSC stability and performance. However, such surface treatments could also affect the heterointerface energetics. Here we show that surface treatments may induce a negative work function shift (i.e. more n-type), which activates halide migration to aggravate PSC instability. Therefore, despite the beneficial effects of surface passivation, this detrimental side effect limits the maximum stability improvement attainable for PSCs treated in these ways. Furthermore, this trade-off between the beneficial and detrimental effects should guide further work on improving PSC stability via surface treatments.
- Authors:
-
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- Univ. of California, Los Angeles, CA (United States)
- Marmara Univ., Istanbul (Turkey)
- Univ. of California, Los Angeles, CA (United States); Westlake Inst. for Advanced Study, Hangzhou (China)
- Sungkyunkwan Univ., Suwon (Korea, Republic of)
- Univ. of California, Irvine, CA (United States)
- Univ. of California, Los Angeles, CA (United States); National Yang Ming Chiao Tung Univ., Hsinchu (Taiwan)
- Publication Date:
- Research Org.:
- Univ. of California, Los Angeles, CA (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office
- OSTI Identifier:
- 1864592
- Grant/Contract Number:
- EE0008751
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature (London)
- Additional Journal Information:
- Journal Name: Nature (London); Journal Volume: 605; Journal Issue: 7909; Journal ID: ISSN 0028-0836
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 14 SOLAR ENERGY; Electronic devices; Solar cells; Surface chemistry
Citation Formats
Tan, Shaun, Huang, Tianyi, Yavuz, Ilhan, Wang, Rui, Yoon, Tae Woong, Xu, Mingjie, Xing, Qiyu, Park, Keonwoo, Lee, Do-Kyoung, Chen, Chung-Hao, Zheng, Ran, Yoon, Taegeun, Zhao, Yepin, Wang, Hao-Cheng, Meng, Dong, Xue, Jingjing, Song, Young Jae, Pan, Xiaoqing, Park, Nam-Gyu, Lee, Jin-Wook, and Yang, Yang. Stability-limiting heterointerfaces of perovskite photovoltaics. United States: N. p., 2022.
Web. doi:10.1038/s41586-022-04604-5.
Tan, Shaun, Huang, Tianyi, Yavuz, Ilhan, Wang, Rui, Yoon, Tae Woong, Xu, Mingjie, Xing, Qiyu, Park, Keonwoo, Lee, Do-Kyoung, Chen, Chung-Hao, Zheng, Ran, Yoon, Taegeun, Zhao, Yepin, Wang, Hao-Cheng, Meng, Dong, Xue, Jingjing, Song, Young Jae, Pan, Xiaoqing, Park, Nam-Gyu, Lee, Jin-Wook, & Yang, Yang. Stability-limiting heterointerfaces of perovskite photovoltaics. United States. https://doi.org/10.1038/s41586-022-04604-5
Tan, Shaun, Huang, Tianyi, Yavuz, Ilhan, Wang, Rui, Yoon, Tae Woong, Xu, Mingjie, Xing, Qiyu, Park, Keonwoo, Lee, Do-Kyoung, Chen, Chung-Hao, Zheng, Ran, Yoon, Taegeun, Zhao, Yepin, Wang, Hao-Cheng, Meng, Dong, Xue, Jingjing, Song, Young Jae, Pan, Xiaoqing, Park, Nam-Gyu, Lee, Jin-Wook, and Yang, Yang. Tue .
"Stability-limiting heterointerfaces of perovskite photovoltaics". United States. https://doi.org/10.1038/s41586-022-04604-5. https://www.osti.gov/servlets/purl/1864592.
@article{osti_1864592,
title = {Stability-limiting heterointerfaces of perovskite photovoltaics},
author = {Tan, Shaun and Huang, Tianyi and Yavuz, Ilhan and Wang, Rui and Yoon, Tae Woong and Xu, Mingjie and Xing, Qiyu and Park, Keonwoo and Lee, Do-Kyoung and Chen, Chung-Hao and Zheng, Ran and Yoon, Taegeun and Zhao, Yepin and Wang, Hao-Cheng and Meng, Dong and Xue, Jingjing and Song, Young Jae and Pan, Xiaoqing and Park, Nam-Gyu and Lee, Jin-Wook and Yang, Yang},
abstractNote = {Optoelectronic devices consist of heterointerfaces formed between dissimilar semiconducting materials. The relative energy level alignment between contacting semiconductors determinately affects the heterointerface charge injection and extraction dynamics. For perovskite solar cells (PSCs), the heterointerface between the top perovskite surface and a charge-transporting material (CTM) is often treated for defect passivation to improve PSC stability and performance. However, such surface treatments could also affect the heterointerface energetics. Here we show that surface treatments may induce a negative work function shift (i.e. more n-type), which activates halide migration to aggravate PSC instability. Therefore, despite the beneficial effects of surface passivation, this detrimental side effect limits the maximum stability improvement attainable for PSCs treated in these ways. Furthermore, this trade-off between the beneficial and detrimental effects should guide further work on improving PSC stability via surface treatments.},
doi = {10.1038/s41586-022-04604-5},
journal = {Nature (London)},
number = 7909,
volume = 605,
place = {United States},
year = {Tue Mar 15 00:00:00 EDT 2022},
month = {Tue Mar 15 00:00:00 EDT 2022}
}
Works referenced in this record:
Effect of the damping function in dispersion corrected density functional theory
journal, March 2011
- Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars
- Journal of Computational Chemistry, Vol. 32, Issue 7
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
journal, January 2019
- Bannwarth, Christoph; Ehlert, Sebastian; Grimme, Stefan
- Journal of Chemical Theory and Computation, Vol. 15, Issue 3
Surface passivation of perovskite film for efficient solar cells
journal, April 2019
- Jiang, Qi; Zhao, Yang; Zhang, Xingwang
- Nature Photonics, Vol. 13, Issue 7
Resolving spatial and energetic distributions of trap states in metal halide perovskite solar cells
journal, March 2020
- Ni, Zhenyi; Bao, Chunxiong; Liu, Ye
- Science, Vol. 367, Issue 6484
Efficient perovskite solar cells via improved carrier management
journal, February 2021
- Yoo, Jason J.; Seo, Gabkyung; Chua, Matthew R.
- Nature, Vol. 590, Issue 7847
Strained hybrid perovskite thin films and their impact on the intrinsic stability of perovskite solar cells
journal, November 2017
- Zhao, Jingjing; Deng, Yehao; Wei, Haotong
- Science Advances, Vol. 3, Issue 11
Energy Level Modification in Lead Sulfide Quantum Dot Thin Films through Ligand Exchange
journal, May 2014
- Brown, Patrick R.; Kim, Donghun; Lunt, Richard R.
- ACS Nano, Vol. 8, Issue 6
Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells
journal, February 2020
- Tan, Shaun; Yavuz, Ilhan; De Marco, Nicholas
- Advanced Materials, Vol. 32, Issue 11
Methylammonium Chloride Induces Intermediate Phase Stabilization for Efficient Perovskite Solar Cells
journal, September 2019
- Kim, Minjin; Kim, Gi-Hwan; Lee, Tae Kyung
- Joule, Vol. 3, Issue 9
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Top and bottom surfaces limit carrier lifetime in lead iodide perovskite films
journal, January 2017
- Yang, Ye; Yang, Mengjin; Moore, David T.
- Nature Energy, Vol. 2, Issue 2
Modeling the Electronic Properties of π-Conjugated Self-Assembled Monolayers
journal, April 2010
- Heimel, Georg; Rissner, Ferdinand; Zojer, Egbert
- Advanced Materials, Vol. 22, Issue 23
Efficient, stable solar cells by using inherent bandgap of α-phase formamidinium lead iodide
journal, November 2019
- Min, Hanul; Kim, Maengsuk; Lee, Seung-Un
- Science, Vol. 366, Issue 6466
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements ( Z = 1–86)
journal, April 2017
- Grimme, Stefan; Bannwarth, Christoph; Shushkov, Philip
- Journal of Chemical Theory and Computation, Vol. 13, Issue 5
Efficient ambient-air-stable solar cells with 2D–3D heterostructured butylammonium-caesium-formamidinium lead halide perovskites
journal, August 2017
- Wang, Zhiping; Lin, Qianqian; Chmiel, Francis P.
- Nature Energy, Vol. 2, Issue 9
Trapped charge-driven degradation of perovskite solar cells
journal, November 2016
- Ahn, Namyoung; Kwak, Kwisung; Jang, Min Seok
- Nature Communications, Vol. 7, Issue 1
Efficient, stable and scalable perovskite solar cells using poly(3-hexylthiophene)
journal, March 2019
- Jung, Eui Hyuk; Jeon, Nam Joong; Park, Eun Young
- Nature, Vol. 567, Issue 7749
Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation
journal, January 2015
- Azpiroz, Jon M.; Mosconi, Edoardo; Bisquert, Juan
- Energy & Environmental Science, Vol. 8, Issue 7
Rethinking the A cation in halide perovskites
journal, February 2022
- Lee, Jin-Wook; Tan, Shaun; Seok, Sang Il
- Science, Vol. 375, Issue 6583
Excess charge-carrier induced instability of hybrid perovskites
journal, November 2018
- Lin, Yuze; Chen, Bo; Fang, Yanjun
- Nature Communications, Vol. 9, Issue 1
Optimization of amorphous silicon thin film solar cells for flexible photovoltaics
journal, June 2008
- Söderström, T.; Haug, F. -J.; Terrazzoni-Daudrix, V.
- Journal of Applied Physics, Vol. 103, Issue 11
Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra
journal, October 2017
- Grimme, Stefan; Bannwarth, Christoph; Dohm, Sebastian
- Angewandte Chemie International Edition, Vol. 56, Issue 46
Local Time-Dependent Charging in a Perovskite Solar Cell
journal, July 2016
- Bergmann, Victor W.; Guo, Yunlong; Tanaka, Hideyuki
- ACS Applied Materials & Interfaces, Vol. 8, Issue 30
Control of Electrical Potential Distribution for High-Performance Perovskite Solar Cells
journal, February 2018
- Cai, Molang; Ishida, Nobuyuki; Li, Xing
- Joule, Vol. 2, Issue 2
Design principles for electronic charge transport in solution-processed vertically stacked 2D perovskite quantum wells
journal, May 2018
- Tsai, Hsinhan; Asadpour, Reza; Blancon, Jean-Christophe
- Nature Communications, Vol. 9, Issue 1
Planar perovskite solar cells with long-term stability using ionic liquid additives
journal, July 2019
- Bai, Sai; Da, Peimei; Li, Cheng
- Nature, Vol. 571, Issue 7764
Shallow Iodine Defects Accelerate the Degradation of α-Phase Formamidinium Perovskite
journal, November 2020
- Tan, Shaun; Yavuz, Ilhan; Weber, Marc H.
- Joule, Vol. 4, Issue 11
Ionic Reactivity at Contacts and Aging of Methylammonium Lead Triiodide Perovskite Solar Cells
journal, February 2016
- Carrillo, Jordi; Guerrero, Antonio; Rahimnejad, Sara
- Advanced Energy Materials, Vol. 6, Issue 9
Migration of cations induces reversible performance losses over day/night cycling in perovskite solar cells
journal, January 2017
- Domanski, Konrad; Roose, Bart; Matsui, Taisuke
- Energy & Environmental Science, Vol. 10, Issue 2
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010
- Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
- The Journal of Chemical Physics, Vol. 132, Issue 15
Iodine Migration and Degradation of Perovskite Solar Cells Enhanced by Metallic Electrodes
journal, November 2016
- Besleaga, Cristina; Abramiuc, Laura Elena; Stancu, Viorica
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 24
An interface stabilized perovskite solar cell with high stabilized efficiency and low voltage loss
journal, January 2019
- Yoo, Jason J.; Wieghold, Sarah; Sponseller, Melany C.
- Energy & Environmental Science, Vol. 12, Issue 7
Works referencing / citing this record:
Reactive and Nonreactive Scattering of HCl from Au(111): An Ab Initio Molecular Dynamics Study
journal, January 2019
- Füchsel, Gernot; Zhou, Xueyao; Jiang, Bin
- The Journal of Physical Chemistry C, Vol. 123, Issue 4
Density Functional Theory Study on the Nucleation and Growth of Ptn Clusters on γ-Al2O3(001) Surface
journal, July 2017
- Wang, Yue; Xiang, Bo; Yang, Hua-Qing
- ACS Omega, Vol. 2, Issue 7
Toward the Physical Interpretation of Inductive and Resonance Substituent Effects and Reexamination Based on Quantum Chemical Modeling
journal, October 2017
- Szatylowicz, Halina; Jezuita, Anna; Siodła, Tomasz
- ACS Omega, Vol. 2, Issue 10
Thermodynamic Properties of Hydrogen-Producing Cobaloxime Catalysts: A Density Functional Theory Analysis
journal, January 2019
- Chen, Jinfan; Sit, Patrick H. -L.
- ACS Omega, Vol. 4, Issue 1
Baird’s Rule in Substituted Fulvene Derivatives: An Information-Theoretic Study on Triplet-State Aromaticity and Antiaromaticity
journal, December 2018
- Yu, Donghai; Rong, Chunying; Lu, Tian
- ACS Omega, Vol. 3, Issue 12
Performing the Millikan experiment at the molecular scale: Determination of atomic Millikan-Thomson charges by computationally measuring atomic forces
journal, September 2017
- Rogers, T. Ryan; Wang, Feng
- The Journal of Chemical Physics, Vol. 147, Issue 16
Comparison of Experimental and Calculated Ion Mobilities of Small Molecules in Air
journal, January 2016
- Gunzer, Frank
- Journal of Analytical Methods in Chemistry, Vol. 2016
Nitrous oxide as an effective AFM tip functionalization: a comparative study
journal, January 2019
- Chutora, Taras; de la Torre, Bruno; Mutombo, Pingo
- Beilstein Journal of Nanotechnology, Vol. 10