Edge functionalized graphene nanoribbons with tunable band edges for carrier transport interlayers in organic–inorganic perovskite solar cells

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Title
Edge functionalized graphene nanoribbons with tunable band edges for carrier transport interlayers in organic–inorganic perovskite solar cells
Author
Kim, Eun MiJavaid, SaqibPark, Jong HyeokLee, Geunsik
Issue Date
2020-02
Publisher
Royal Society of Chemistry
Citation
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.22, no.5, pp.2955 - 2962
Abstract
Organic based graphene nanoribbons (GNRs) can be good candidates as carrier extraction interlayers for organic/inorganic hybrid perovskite solar cells, owing to the possibility of tuning the band edge energy levels through varying the width and the type of edge functionalization. By using the density functional theory (DFT) method, the electronic structures of H or F edge functionalized armchair type GNRs on MAPbI3(001) are calculated. It is shown that the electronic structure of H- or F-passivated GNRs is almost undisrupted by the non-covalent interaction with the PbI2 surface layer of MAPbI3(001), thereby one can tune the width and edge chemistry of GNRs to enhance the carrier extraction or blocking. Especially all H-GNRs five to ten carbon atoms wide exhibit good matching for hole extraction, while F-GNRs require a specific width for electron extraction. Exploiting the unzipping synthesis of carbon nanotubes in the solution phase, our result provides a facile strategy for efficient carrier extraction.
URI
https://scholarworks.unist.ac.kr/handle/201301/31144
URL
https://pubs.rsc.org/en/content/articlelanding/2020/cp/c9cp06430c#!divAbstract
DOI
10.1039/C9CP06430C
ISSN
1463-9076
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