English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Charge-transfer excitons (CTX) at organic donor/acceptor interfaces areconsidered important intermediates for charge separation in photovoltaicdevices. Crystalline model systems provide microscopic insights into the natureof such states as they enable microscopic structure-property investigations.Here, we use angular-resolved UV/Vis absorption spectroscopy to characterizethe CTX of crystalline pentacene:perfluoro-pentacene (PEN:PFP) films allowingto determine the polarization of this state. This analysis is complemented byfirst-principles many-body calculations, performed on the three-dimensionalPEN:PFP co-crystal, which confirm that the lowest-energy excitation is a CTX.Analogous simulations performed on bimolecular clusters are unable to reproducethis state. We ascribe this failure to the lack of long-range interactions andwave-function periodicity in these cluster calculations, which appear to remaina valid tool for modelling properties of organic materials ruled by localintermolecular couplings.

Polarization Resolved Optical Excitation of Charge-Transfer Excitons in PEN:PFP Co-Crystalline Films: Limits of Non-Periodic Modelling