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Rationalizing the molecular design of hole-selective contacts to improve charge extraction in Perovskite solar cells

  • Two new hole selective materials (HSMs) based on dangling methylsulfanyl groups connected to the C-9 position of the fluorene core are synthesized and applied in perovskite solar cells. Being structurally similar to a half of Spiro-OMeTAD molecule, these HSMs (referred as FS and DFS) share similar redox potentials but are endowed with slightly higher hole mobility, due to the planarity and large extension of their structure. Competitive power conversion efficiency (up to 18.6%) is achieved by using the new HSMs in suitable perovskite solar cells. Time-resolved photoluminescence decay measurements and electrochemical impedance spectroscopy show more efficient charge extraction at the HSM/perovskite interface with respect to Spiro-OMeTAD, which is reflected in higher photocurrents exhibited by DFS/FS-integrated perovskite solar cells. Density functional theory simulations reveal that the interactions of methylammonium with methylsulfanyl groups in DFS/FS strengthen their electrostatic attraction with the perovskite surface, providing anTwo new hole selective materials (HSMs) based on dangling methylsulfanyl groups connected to the C-9 position of the fluorene core are synthesized and applied in perovskite solar cells. Being structurally similar to a half of Spiro-OMeTAD molecule, these HSMs (referred as FS and DFS) share similar redox potentials but are endowed with slightly higher hole mobility, due to the planarity and large extension of their structure. Competitive power conversion efficiency (up to 18.6%) is achieved by using the new HSMs in suitable perovskite solar cells. Time-resolved photoluminescence decay measurements and electrochemical impedance spectroscopy show more efficient charge extraction at the HSM/perovskite interface with respect to Spiro-OMeTAD, which is reflected in higher photocurrents exhibited by DFS/FS-integrated perovskite solar cells. Density functional theory simulations reveal that the interactions of methylammonium with methylsulfanyl groups in DFS/FS strengthen their electrostatic attraction with the perovskite surface, providing an additional path for hole extraction compared to the sole presence of methoxy groups in Spiro-OMeTAD. Importantly, the low-cost synthesis of FS makes it significantly attractive for the future commercialization of perovskite solar cells.show moreshow less

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Author details:Qiong WangORCiD, Edoardo Mosconi, Christian Michael WolffORCiDGND, Junming Li, Dieter NeherORCiDGND, Filippo De Angelis, Gian Paolo Suranna, Roberto Grisorio, Antonio AbateORCiD
DOI:https://doi.org/10.1002/aenm.201900990
ISSN:1614-6832
ISSN:1614-6840
Title of parent work (English):dvanced energy materials
Publisher:Wiley-VCH
Place of publishing:Weinheim
Publication type:Article
Language:English
Date of first publication:2019/06/24
Publication year:2019
Release date:2021/01/14
Tag:hole extraction; hole selective materials; perovskite solar cells; sulfur; triple-cation perovskite
Volume:9
Issue:28
Number of pages:9
Funding institution:Bridge-Early Stage COMPOSTRONICS project [5730587]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China Scientifica e Tecnologica", MIUR (Rome, Italy); University of Perugia, under the "Dipartimenti di Eccellenza 2018-2022" (Grant AMIS); European Helmholtz-Zentrum Berlin fur Materialien und Energie GmbH, OCPC; Fuzhou University
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie
DDC classification:5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Peer review:Referiert
Publishing method:Open Access / Green Open-Access
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