Matches in SemOpenAlex for { <https://semopenalex.org/work/W2988581608> ?p ?o ?g. }
- W2988581608 endingPage "8637" @default.
- W2988581608 startingPage "8630" @default.
- W2988581608 abstract "There is growing experimental and theoretical evidence that vibronic couplings, couplings between electronic and nuclear degrees of freedom, play a fundamental role in ultrafast excited-state dynamics in organic donor-acceptor hybrids. Whereas vibronic coupling has been shown to support charge separation at donor-acceptor interfaces, so far, little is known about its role in the real-space transport of charges in such systems. Here we theoretically study charge transport in thiophene:fullerene stacks using time-dependent density functional tight-binding theory combined with Ehrenfest molecular dynamics for open systems. Our results reveal coherent oscillations of the charge density between neighboring donor sites, persisting for ∼200 fs and promoting charge transport within the polymer stacks. At the donor-acceptor interface, vibronic wave packets are launched, propagating coherently over distances of more than 3 nm into the acceptor region. This supports previous experimental observations of long-range ballistic charge-carrier motion in organic photovoltaic systems and highlights the importance of vibronic coupling engineering as a concept for tailoring the functionality of hybrid organic devices." @default.
- W2988581608 created "2019-11-22" @default.
- W2988581608 creator A5023095560 @default.
- W2988581608 creator A5032664810 @default.
- W2988581608 creator A5035279941 @default.
- W2988581608 creator A5040034276 @default.
- W2988581608 creator A5049085844 @default.
- W2988581608 creator A5058719264 @default.
- W2988581608 creator A5059049481 @default.
- W2988581608 creator A5067051523 @default.
- W2988581608 date "2019-11-08" @default.
- W2988581608 modified "2023-10-14" @default.
- W2988581608 title "Coherent Real-Space Charge Transport Across a Donor–Acceptor Interface Mediated by Vibronic Couplings" @default.
- W2988581608 cites W1506906952 @default.
- W2988581608 cites W1552003454 @default.
- W2988581608 cites W1964162368 @default.
- W2988581608 cites W1972333973 @default.
- W2988581608 cites W1984568704 @default.
- W2988581608 cites W1991851161 @default.
- W2988581608 cites W2000483203 @default.
- W2988581608 cites W2016564617 @default.
- W2988581608 cites W2016924586 @default.
- W2988581608 cites W2019728853 @default.
- W2988581608 cites W2022622810 @default.
- W2988581608 cites W2028558275 @default.
- W2988581608 cites W2050268081 @default.
- W2988581608 cites W2052612308 @default.
- W2988581608 cites W2066289545 @default.
- W2988581608 cites W2070627256 @default.
- W2988581608 cites W2073895194 @default.
- W2988581608 cites W2075841821 @default.
- W2988581608 cites W2083986967 @default.
- W2988581608 cites W2092778591 @default.
- W2988581608 cites W2094346955 @default.
- W2988581608 cites W2097804096 @default.
- W2988581608 cites W2099446954 @default.
- W2988581608 cites W2107797453 @default.
- W2988581608 cites W2117247675 @default.
- W2988581608 cites W2136209035 @default.
- W2988581608 cites W2145689956 @default.
- W2988581608 cites W2154175093 @default.
- W2988581608 cites W2159355928 @default.
- W2988581608 cites W2239301903 @default.
- W2988581608 cites W2252926782 @default.
- W2988581608 cites W2312353750 @default.
- W2988581608 cites W2319738529 @default.
- W2988581608 cites W2319789224 @default.
- W2988581608 cites W2539932549 @default.
- W2988581608 cites W2543110117 @default.
- W2988581608 cites W2562280960 @default.
- W2988581608 cites W2565032834 @default.
- W2988581608 cites W2604003743 @default.
- W2988581608 cites W2712581870 @default.
- W2988581608 cites W2760700386 @default.
- W2988581608 cites W2761851732 @default.
- W2988581608 cites W2763176919 @default.
- W2988581608 cites W2767103526 @default.
- W2988581608 cites W2775969850 @default.
- W2988581608 cites W2784047594 @default.
- W2988581608 cites W2787956199 @default.
- W2988581608 cites W2799566423 @default.
- W2988581608 cites W2806212218 @default.
- W2988581608 cites W2894800123 @default.
- W2988581608 cites W2899527464 @default.
- W2988581608 cites W2907201627 @default.
- W2988581608 cites W2946874265 @default.
- W2988581608 cites W2963216497 @default.
- W2988581608 doi "https://doi.org/10.1021/acs.nanolett.9b03194" @default.
- W2988581608 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31698905" @default.
- W2988581608 hasPublicationYear "2019" @default.
- W2988581608 type Work @default.
- W2988581608 sameAs 2988581608 @default.
- W2988581608 citedByCount "13" @default.
- W2988581608 countsByYear W29885816082020 @default.
- W2988581608 countsByYear W29885816082021 @default.
- W2988581608 countsByYear W29885816082022 @default.
- W2988581608 countsByYear W29885816082023 @default.
- W2988581608 crossrefType "journal-article" @default.
- W2988581608 hasAuthorship W2988581608A5023095560 @default.
- W2988581608 hasAuthorship W2988581608A5032664810 @default.
- W2988581608 hasAuthorship W2988581608A5035279941 @default.
- W2988581608 hasAuthorship W2988581608A5040034276 @default.
- W2988581608 hasAuthorship W2988581608A5049085844 @default.
- W2988581608 hasAuthorship W2988581608A5058719264 @default.
- W2988581608 hasAuthorship W2988581608A5059049481 @default.
- W2988581608 hasAuthorship W2988581608A5067051523 @default.
- W2988581608 hasConcept C121332964 @default.
- W2988581608 hasConcept C131584629 @default.
- W2988581608 hasConcept C152365726 @default.
- W2988581608 hasConcept C159467904 @default.
- W2988581608 hasConcept C160172526 @default.
- W2988581608 hasConcept C181500209 @default.
- W2988581608 hasConcept C182498248 @default.
- W2988581608 hasConcept C184779094 @default.
- W2988581608 hasConcept C185592680 @default.
- W2988581608 hasConcept C188082385 @default.
- W2988581608 hasConcept C191897082 @default.
- W2988581608 hasConcept C192562407 @default.