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Nitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions

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cris.lastimport.scopus2024-02-12T20:53:56Z
dc.abstract.enn recent years, the chemistry of curved π-conjugated molecules has experienced a sharp rise. The inclusion of a heteroatom in the carbon network significantly affects its semiconducting properties. In this work, we computationally study the photoinduced electron transfer in a series of C60 fullerene complexes with experimentally established nitrogen-doped molecular bowls. Our results demonstrate that introducing nitrogen into pentagonal rings of the bowl-shaped π-conjugated molecules and extending the π-conjugation can modulate their electron-transfer properties. Among the studied complexes, the hub-NCor⊃C60 complex exhibits the most desirable combination of ultrafast charge separation and slow charge recombination, suggesting its potential use in photovoltaics.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorVoityuk, A. A.
dc.contributor.authorSolà, M.
dc.contributor.authorStasyuk, Anton
dc.contributor.authorStasyuk, Olga
dc.date.accessioned2024-01-25T13:50:17Z
dc.date.available2024-01-25T13:50:17Z
dc.date.copyright2022-03-30
dc.date.issued2022
dc.description.accesstimeAT_PUBLICATION
dc.description.financeNie dotyczy
dc.description.number9
dc.description.versionFINAL_PUBLISHED
dc.description.volume4
dc.identifier.doi10.1039/D2NA00150K
dc.identifier.issn2516-0230
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/113793
dc.identifier.weblinkhttp://pubs.rsc.org/en/content/articlepdf/2022/NA/D2NA00150K
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofNanoscale Advances
dc.relation.pages2180-2188
dc.rightsCC-BY-NC
dc.sciencecloudnosend
dc.titleNitrogen-doped molecular bowls as electron donors in photoinduced electron transfer reactions
dc.typeJournalArticle
dspace.entity.typePublication