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Mono- and Di-Pyrene [60]Fullerene and [70]Fullerene Derivatives as Potential Components for Photovoltaic Devices

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cris.lastimport.scopus2024-02-12T20:54:59Z
dc.abstract.enIn the present work, we report the successful synthesis and characterization of six (two new) fullerene mono- and di-pyrene derivatives based on C60 and C70 fullerenes. The synthesized compounds were characterized by spectral methods (ESI-MS, 1H-NMR, 13C-NMR, UV-Vis, FT-IR, photoluminescence and photocurrent spectroscopy). The energy of HOMO and LUMO levels and the band gaps were determined from cyclic voltammetry and compared with the theoretical values calculated according to the DFT/B3LYP/6-31G(d) and DFT/PBE/6-311G(d,p) approach for fully optimized molecular structures at the DFT/B3LYP/6-31G(d) level. Efficiency of solar cells made of PTB7: C60 and C70 fullerene pyrene derivatives were analyzed based on the determined energy levels of the HOMO and LUMO orbitals of the derivatives as well as the extensive spectral results of fullerene derivatives and their mixtures with PTB7. As a result, we found that the electronic and spectral properties, on which the efficiency of a photovoltaic cell is believed to depend, slightly changes with the number and type of pyrene substituents on the fullerene core. The efficiency of constructed solar cells largely depends on the homogeneity of the photovoltaic layer, which, in turn, is a derivative of the solubility of fullerene derivatives in the solvent used to apply these layers by spincoating.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorKrajewski, Maciej
dc.contributor.authorMech, Wojciech
dc.contributor.authorKorona, Krzysztof
dc.contributor.authorKamińska, Maria
dc.contributor.authorPiotrowski, Piotr
dc.contributor.authorZarębska, Kamila
dc.contributor.authorSkompska, Magdalena
dc.contributor.authorKaim, Andrzej
dc.date.accessioned2024-01-25T12:54:11Z
dc.date.available2024-01-25T12:54:11Z
dc.date.copyright2021-03-12
dc.date.issued2021
dc.description.accesstimeAT_PUBLICATION
dc.description.financeŚrodki finansowe, o których mowa w art. 365 pkt. 2 ustawy
dc.description.number6
dc.description.versionFINAL_PUBLISHED
dc.description.volume26
dc.identifier.doi10.3390/MOLECULES26061561
dc.identifier.issn1420-3049
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/112928
dc.identifier.weblinkhttps://www.mdpi.com/1420-3049/26/6/1561/pdf
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofMolecules
dc.relation.pages1561
dc.rightsCC-BY
dc.sciencecloudnosend
dc.subject.enfullerene
dc.subject.enpyrene
dc.subject.enacceptor
dc.subject.enphotovoltaics
dc.titleMono- and Di-Pyrene [60]Fullerene and [70]Fullerene Derivatives as Potential Components for Photovoltaic Devices
dc.typeJournalArticle
dspace.entity.typePublication