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How Do Defects in Carbon Nanostructures Regulate the Photoinduced Electron Transfer Processes? The Case of Phenine Nanotubes

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cris.lastimport.scopus2024-02-12T20:42:46Z
dc.abstract.enPhotoinduced electron transfer is studied in a series of inclusion complexes of structurally modified phenine nanotubes (pNT) with C70 using the TD-DFT method. Analysis of electronic properties of the complexes shows that the electron transfer is infeasible in pNT_4d⊃C70 built on the tetrameric array of [6]cyclo-meta-phenylene ([6]CMP) units. However, replacing one or more [6]CMP units with a coronene moiety enables electron transfer from pNT to C70. The generation of the charge separated states from the lowest locally excited states occurs on a sub-nanosecond time scale. Depending on the number of the [6]CMP units, the charge recombination rate varies from 1.8 ⋅ 107 to 3.1 ⋅ 102 s−1, i. e., five orders of magnitude
dc.affiliationUniwersytet Warszawski
dc.contributor.authorVoityuk, Alexander A.
dc.contributor.authorStasyuk, Anton
dc.contributor.authorStasyuk, Olga
dc.contributor.authorSolà, Miquel
dc.date.accessioned2024-01-25T03:29:42Z
dc.date.available2024-01-25T03:29:42Z
dc.date.copyright2021-04-19
dc.date.issued2021
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number12
dc.description.versionFINAL_PUBLISHED
dc.description.volume22
dc.identifier.doi10.1002/CPHC.202100285
dc.identifier.issn1439-4235
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/108646
dc.identifier.weblinkhttps://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202100285
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofChemPhysChem
dc.relation.pages1178-1186
dc.rightsCC-BY-NC-ND
dc.sciencecloudnosend
dc.titleHow Do Defects in Carbon Nanostructures Regulate the Photoinduced Electron Transfer Processes? The Case of Phenine Nanotubes
dc.typeJournalArticle
dspace.entity.typePublication