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Optical properties of doped and undoped 9-armchair graphene nanoribbons [data]: optimized geometries for graphene nanoribbons with and without defects

Graphene nanoribbons are one-dimensional stripes of graphene with width- and edge-structure-dependent electronic properties. They can be synthesized bottom-up to obtain precise ribbon geometries. Here we investigate the optical properties of solution-synthesized 9-armchair graphene nanoribbons (9-aG...

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Main Authors: Lindenthal, Sebastian (Author) , Fazzi, Daniele (Author) , Zorn, Nicolas (Author) , El Yumin, Abdurrahman Ali (Author) , Settele, Simon (Author) , Weidinger, Britta (Author) , Blasco, Eva (Author) , Zaumseil, Jana (Author)
Format: Database Research Data
Language:English
Published: Heidelberg Universität 2023-06-05
DOI:10.11588/data/JAV0ZK
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Forschungsdaten
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Online Access:Resolving-System, kostenfrei, Volltext: https://doi.org/10.11588/data/JAV0ZK
Verlag, kostenfrei, Volltext: https://heidata.uni-heidelberg.de/dataset.xhtml?persistentId=doi:10.11588/data/JAV0ZK
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Author Notes:Sebastian Steffen Lindenthal, Daniele Fazzi, Nicolas Frederic Zorn, Abdurrahman Ali El Yumin, Simon Settele, Britta Weidinger, Eva Blasco, Jana Zaumseil
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Summary:Graphene nanoribbons are one-dimensional stripes of graphene with width- and edge-structure-dependent electronic properties. They can be synthesized bottom-up to obtain precise ribbon geometries. Here we investigate the optical properties of solution-synthesized 9-armchair graphene nanoribbons (9-aGNRs) that are stabilized as dispersions in organic solvents and further fractioned by liquid cascade centrifugation (LCC). Absorption and photoluminescence spectroscopy reveal two near-infrared absorption and emission peaks whose ratios depend on the LCC fraction. Similarly, the Raman D/G-mode ratios vary with fraction and indicate a higher defect density for fractions obtained at higher centrifugal forces. Low-temperature single-nanoribbon photoluminescence spectra suggest the presence of two different nanoribbon species. Based on density functional theory (DFT) and time-dependent DFT calculations, pristine 9-aGNRs are assigned to the lowest energy transitions and 9-aGNRs with edge-defects, introduced by an incomplete graphitization, are assigned to more blue-shifted transition peaks. Hole doping of 9-aGNRs dispersion with the electron acceptor F4TCNQ leads to concentration dependent bleaching of the main absorption bands and redshifted, charge-induced absorption features but no new emission features, thus, indicating the formation of polarons instead of trions (charged excitons) in charged 9-aGNRs.
Item Description:Gefördert durch: European Research Council: Grant Agreement No. 817494 “TRIFECTs"
Gesehen am 12.06.2023
Physical Description:Online Resource
DOI:10.11588/data/JAV0ZK

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