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Title: Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3 NH 3 PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode

Abstract

Abstract Solar cells based on methylammonium lead triiodide (MAPbI 3 ) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long‐term stability of MAPbI 3 ‐based solar cells has yet to be achieved. Besides the well‐known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI 3 . In addition to Au, many other metals have been used as electrodes in MAPbI 3 solar cells. However, how the external metal impurities introduced by electrodes affect the long‐term stability of MAPbI 3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI 3 based on first‐principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI 3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects inmore » MAPbI 3 while having low resistivities and suitable work functions for carrier extraction.« less

Authors:
 [1];  [2];  [2];  [3]; ORCiD logo [1]
+ Show Author Affiliations
  1. Materials Science and Technology Division Oak Ridge National Laboratory Oak Ridge TN 37831 USA
  2. Key Laboratory of Automobile Materials of MOE and Department of Materials Science and Engineering Jilin University Changchun 130012 China
  3. Key Laboratory of Automobile Materials of MOE and Department of Materials Science and Engineering Jilin University Changchun 130012 China, State Key Laboratory of Superhard Materials Jilin University Changchun 130012 China
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1414958
Alternate Identifier(s):
OSTI ID: 1414959; OSTI ID: 1426589
Grant/Contract Number:  
AC05-00OR22725; 2016YFB0201204; 61722403; 11404131; 11674121
Resource Type:
Published Article
Journal Name:
Advanced Science
Additional Journal Information:
Journal Name: Advanced Science Journal Volume: 5 Journal Issue: 2; Journal ID: ISSN 2198-3844
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English
Subject:
14 SOLAR ENERGY; 36 MATERIALS SCIENCE

Citation Formats

Ming, Wenmei, Yang, Dongwen, Li, Tianshu, Zhang, Lijun, and Du, Mao‐Hua. Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3 NH 3 PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode. Germany: N. p., 2017. Web. doi:10.1002/advs.201700662.
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Ming, Wenmei, Yang, Dongwen, Li, Tianshu, Zhang, Lijun, & Du, Mao‐Hua. Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3 NH 3 PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode. Germany. https://doi.org/10.1002/advs.201700662
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Ming, Wenmei, Yang, Dongwen, Li, Tianshu, Zhang, Lijun, and Du, Mao‐Hua. Wed . "Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3 NH 3 PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode". Germany. https://doi.org/10.1002/advs.201700662.
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@article{osti_1414958,
title = {Formation and Diffusion of Metal Impurities in Perovskite Solar Cell Material CH 3 NH 3 PbI 3 : Implications on Solar Cell Degradation and Choice of Electrode},
author = {Ming, Wenmei and Yang, Dongwen and Li, Tianshu and Zhang, Lijun and Du, Mao‐Hua},
abstractNote = {Abstract Solar cells based on methylammonium lead triiodide (MAPbI 3 ) have shown remarkable progress in recent years and have demonstrated efficiencies greater than 20%. However, the long‐term stability of MAPbI 3 ‐based solar cells has yet to be achieved. Besides the well‐known chemical and thermal instabilities, significant native ion migration in lead halide perovskites leads to current–voltage hysteresis and photoinduced phase segregation. Recently, it is further revealed that, despite having excellent chemical stability, the Au electrode can cause serious solar cell degradation due to Au diffusion into MAPbI 3 . In addition to Au, many other metals have been used as electrodes in MAPbI 3 solar cells. However, how the external metal impurities introduced by electrodes affect the long‐term stability of MAPbI 3 solar cells has rarely been studied. A comprehensive study of formation energetics and diffusion dynamics of a number of noble and transition metal impurities (Au, Ag, Cu, Cr, Mo, W, Co, Ni, Pd) in MAPbI 3 based on first‐principles calculations is reported herein. The results uncover important general trends of impurity formation and diffusion in MAPbI 3 and provide useful guidance for identifying the optimal metal electrodes that do not introduce electrically active impurity defects in MAPbI 3 while having low resistivities and suitable work functions for carrier extraction.},
doi = {10.1002/advs.201700662},
journal = {Advanced Science},
number = 2,
volume = 5,
place = {Germany},
year = {Wed Dec 27 00:00:00 EST 2017},
month = {Wed Dec 27 00:00:00 EST 2017}
}
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https://doi.org/10.1002/advs.201700662
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