Atomic Structure and Electrical Activity of Grain Boundaries and Ruddlesden-Popper Faults in Cesium Lead Bromide Perovskite
Abstract
Abstract To evaluate the role of planar defects in lead‐halide perovskites—cheap, versatile semiconducting materials—it is critical to examine their structure, including defects, at the atomic scale and develop a detailed understanding of their impact on electronic properties. In this study, postsynthesis nanocrystal fusion, aberration‐corrected scanning transmission electron microscopy, and first‐principles calculations are combined to study the nature of different planar defects formed in CsPbBr 3 nanocrystals. Two types of prevalent planar defects from atomic resolution imaging are observed: previously unreported Br‐rich [001](210)∑5 grain boundaries (GBs) and Ruddlesden–Popper (RP) planar faults. The first‐principles calculations reveal that neither of these planar faults induce deep defect levels, but their Br‐deficient counterparts do. It is found that the ∑5 GB repels electrons and attracts holes, similar to an n–p–n junction, and the RP planar defects repel both electrons and holes, similar to a semiconductor–insulator–semiconductor junction. Finally, the potential applications of these findings and their implications to understand the planar defects in organic–inorganic lead‐halide perovskites that have led to solar cells with extremely high photoconversion efficiencies are discussed.
- Authors:
-
- Washington Univ., St. Louis, MO (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Univ. of Missouri, Columbia, MO (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1493984
- Alternate Identifier(s):
- OSTI ID: 1484312
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Advanced Materials
- Additional Journal Information:
- Journal Volume: 31; Journal Issue: 4; Journal ID: ISSN 0935-9648
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Thind, Arashdeep Singh, Luo, Guangfu, Hachtel, Jordan A., Morrell, Maria V., Cho, Sung Beom, Borisevich, Albina Y., Idrobo, Juan-Carlos, Xing, Yangchuan, and Mishra, Rohan. Atomic Structure and Electrical Activity of Grain Boundaries and Ruddlesden-Popper Faults in Cesium Lead Bromide Perovskite. United States: N. p., 2018.
Web. doi:10.1002/adma.201805047.
Thind, Arashdeep Singh, Luo, Guangfu, Hachtel, Jordan A., Morrell, Maria V., Cho, Sung Beom, Borisevich, Albina Y., Idrobo, Juan-Carlos, Xing, Yangchuan, & Mishra, Rohan. Atomic Structure and Electrical Activity of Grain Boundaries and Ruddlesden-Popper Faults in Cesium Lead Bromide Perovskite. United States. https://doi.org/10.1002/adma.201805047
Thind, Arashdeep Singh, Luo, Guangfu, Hachtel, Jordan A., Morrell, Maria V., Cho, Sung Beom, Borisevich, Albina Y., Idrobo, Juan-Carlos, Xing, Yangchuan, and Mishra, Rohan. Mon .
"Atomic Structure and Electrical Activity of Grain Boundaries and Ruddlesden-Popper Faults in Cesium Lead Bromide Perovskite". United States. https://doi.org/10.1002/adma.201805047. https://www.osti.gov/servlets/purl/1493984.
@article{osti_1493984,
title = {Atomic Structure and Electrical Activity of Grain Boundaries and Ruddlesden-Popper Faults in Cesium Lead Bromide Perovskite},
author = {Thind, Arashdeep Singh and Luo, Guangfu and Hachtel, Jordan A. and Morrell, Maria V. and Cho, Sung Beom and Borisevich, Albina Y. and Idrobo, Juan-Carlos and Xing, Yangchuan and Mishra, Rohan},
abstractNote = {Abstract To evaluate the role of planar defects in lead‐halide perovskites—cheap, versatile semiconducting materials—it is critical to examine their structure, including defects, at the atomic scale and develop a detailed understanding of their impact on electronic properties. In this study, postsynthesis nanocrystal fusion, aberration‐corrected scanning transmission electron microscopy, and first‐principles calculations are combined to study the nature of different planar defects formed in CsPbBr 3 nanocrystals. Two types of prevalent planar defects from atomic resolution imaging are observed: previously unreported Br‐rich [001](210)∑5 grain boundaries (GBs) and Ruddlesden–Popper (RP) planar faults. The first‐principles calculations reveal that neither of these planar faults induce deep defect levels, but their Br‐deficient counterparts do. It is found that the ∑5 GB repels electrons and attracts holes, similar to an n–p–n junction, and the RP planar defects repel both electrons and holes, similar to a semiconductor–insulator–semiconductor junction. Finally, the potential applications of these findings and their implications to understand the planar defects in organic–inorganic lead‐halide perovskites that have led to solar cells with extremely high photoconversion efficiencies are discussed.},
doi = {10.1002/adma.201805047},
journal = {Advanced Materials},
number = 4,
volume = 31,
place = {United States},
year = {Mon Dec 03 00:00:00 EST 2018},
month = {Mon Dec 03 00:00:00 EST 2018}
}
Web of Science
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