Atomic Structure and Electrical Activity of Grain Boundaries and Ruddlesden-Popper Faults in Cesium Lead Bromide Perovskite

© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bibliographische Detailangaben
Veröffentlicht in:Advanced materials (Deerfield Beach, Fla.). - 1998. - 31(2019), 4 vom: 21. Jan., Seite e1805047
1. Verfasser: Thind, Arashdeep Singh (VerfasserIn)
Weitere Verfasser: Luo, Guangfu, Hachtel, Jordan A, Morrell, Maria V, Cho, Sung Beom, Borisevich, Albina Y, Idrobo, Juan-Carlos, Xing, Yangchuan, Mishra, Rohan
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2019
Zugriff auf das übergeordnete Werk:Advanced materials (Deerfield Beach, Fla.)
Schlagworte:Journal Article Ruddlesden-Popper faults density-functional theory grain boundaries lead-halide perovskites scanning transmission electron microscopy
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520 |a 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 CsPbBr3 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 
650 4 |a Journal Article 
650 4 |a Ruddlesden-Popper faults 
650 4 |a density-functional theory 
650 4 |a grain boundaries 
650 4 |a lead-halide perovskites 
650 4 |a scanning transmission electron microscopy 
700 1 |a Luo, Guangfu  |e verfasserin  |4 aut 
700 1 |a Hachtel, Jordan A  |e verfasserin  |4 aut 
700 1 |a Morrell, Maria V  |e verfasserin  |4 aut 
700 1 |a Cho, Sung Beom  |e verfasserin  |4 aut 
700 1 |a Borisevich, Albina Y  |e verfasserin  |4 aut 
700 1 |a Idrobo, Juan-Carlos  |e verfasserin  |4 aut 
700 1 |a Xing, Yangchuan  |e verfasserin  |4 aut 
700 1 |a Mishra, Rohan  |e verfasserin  |4 aut 
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773 1 8 |g volume:31  |g year:2019  |g number:4  |g day:21  |g month:01  |g pages:e1805047 
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