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

Abstract

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.

Authors:
 [1];  [2];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [1];  [3];  [1];  [1]; ORCiD logo [4]; ORCiD logo [1]
  1. Univ. of California, Los Angeles, CA (United States)
  2. Marmara Univ., Istanbul (Turkey)
  3. Univ. of California, Los Angeles, CA (United States); Hanyang Univ., Seoul (Korea, Republic of)
  4. Univ. of California, Los Angeles, CA (United States); Sungkyunkwan Univ., Suwon (Republic of Korea)
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:
1597115
Alternate Identifier(s):
OSTI ID: 1597163; OSTI ID: 1668456
Grant/Contract Number:  
EE0008751
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Volume: 32; Journal Issue: 11; Journal ID: ISSN 0935-9648
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; acetamidinium; ion migration; perovskite solar cells; stability; steric engineering

Citation Formats

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, and Yang, Yang. Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells. United States: N. p., 2020. Web. doi:10.1002/adma.201906995.
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. Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells. United States. https://doi.org/10.1002/adma.201906995
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, and Yang, Yang. Tue . "Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells". United States. https://doi.org/10.1002/adma.201906995. https://www.osti.gov/servlets/purl/1597115.
@article{osti_1597115,
title = {Steric Impediment of Ion Migration Contributes to Improved Operational Stability of Perovskite Solar Cells},
author = {Tan, Shaun and Yavuz, Ilhan and De Marco, Nicholas and Huang, Tianyi and Lee, Sung‐Joon and Choi, Christopher S. and Wang, Minhuan and Nuryyeva, Selbi and Wang, Rui and Zhao, Yepin and Wang, Hao‐Cheng and Han, Tae‐Hee and Dunn, Bruce and Huang, Yu and Lee, Jin‐Wook and Yang, Yang},
abstractNote = {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.},
doi = {10.1002/adma.201906995},
journal = {Advanced Materials},
number = 11,
volume = 32,
place = {United States},
year = {Tue Feb 04 00:00:00 EST 2020},
month = {Tue Feb 04 00:00:00 EST 2020}
}

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Figures / Tables:

Figure 1 Figure 1: Chemical structures of a) acetamidinium, b) methylammonium, and c) guanidinium. Density functional theory (DFT) modelled effective hydrogen bonds between the ‘A’ cations and perovskite lattice for d) acetamidinium, e) methylammonium, and f) guanidinium. Black numbers are the bond lengths (in angstroms) and blue numbers are the bond anglesmore » (in degrees).« less

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