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Title: | Absorption Tails of Donor:C-60 Blends Provide Insight into Thermally Activated Charge-Transfer Processes and Polaron Relaxation | Authors: | VANDEWAL, Koen Benduhn, Johannes Schellhammer, Karl Sebastian VANGERVEN, Tim Rueckert, Janna E. PIERSIMONI, Fortunato Scholz, Reinhard Zeika, Olaf Fan, Yeli Barlow, Stephen Neher, Dieter Marder, Seth R. MANCA, Jean SPOLTORE, Donato Cuniberti, Gianaurelio Ortmann, Frank |
Issue Date: | 2017 | Publisher: | AMER CHEMICAL SOC | Source: | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139(4), p. 1699-1704 | Abstract: | In disordered organic semiconductors, the transfer of a rather localized charge carrier from one site to another triggers a deformation of the molecular structure quantified by the intramolecular relaxation energy. A similar structural relaxation occurs upon population of intermolecular charge-transfer (CT) states formed at organic electron donor (D)-acceptor (A) interfaces. Weak CT absorption bands for D A complexes occur at photon energies below the optical gaps of both the donors and the C-60 acceptor as a result of optical transitions from the neutral ground state to the ionic CT state. In this work, we show that temperature-activated intramolecular vibrations of the ground state play a major role in determining the line shape of such CT absorption bands. This allows us to extract values for the relaxation energy related to the geometry change from neutral to ionic CT complexes. Experimental values for the relaxation energies of 20 D:C-60 CT complexes correlate with values calculated within density functional theory. These results provide an experimental method for determining the polaron relaxation energy in solid-state organic D-A blends and show the importance of a reduced relaxation energy, which we introduce to characterize thermally activated CT processes. | Notes: | [Vandewal, Koen; Benduhn, Johannes; Scholz, Reinhard; Zeika, Olaf; Spoltore, Donato] Tech Univ Dresden, Dresden Integrated Ctr Appl Phys & Photon Mat IAP, D-01062 Dresden, Germany. [Vandewal, Koen; Benduhn, Johannes; Scholz, Reinhard; Zeika, Olaf; Spoltore, Donato] Tech Univ Dresden, Inst Appl Phys, D-01062 Dresden, Germany. [Schellhammer, Karl Sebastian; Rueckert, Janna E.; Cuniberti, Gianaurelio; Ortmann, Frank] Tech Univ Dresden, Inst Mat Sci, Max Bergmann Ctr Biomat, D-01062 Dresden, Germany. [Schellhammer, Karl Sebastian; Rueckert, Janna E.; Cuniberti, Gianaurelio; Ortmann, Frank] Tech Univ Dresden, Dresden Ctr Computat Mat Sci, D-01062 Dresden, Germany. [Schellhammer, Karl Sebastian; Rueckert, Janna E.; Cuniberti, Gianaurelio; Ortmann, Frank] Tech Univ Dresden, Ctr Adv Elect Dresden Cfaed, D-01062 Dresden, Germany. [Vangerven, Tim] Hasselt Univ, Inst Mat Res IMO IMOMEC, Mat Phys Div, Univ Campus,Wetenschapspk 1, B-3590 Diepenbeek, Belgium. [Piersimoni, Fortunato] Univ Potsdam, Inst Phys & Astron, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany. [Fan, Yeli; Barlow, Stephen; Marder, Seth R.] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA. [Fan, Yeli; Barlow, Stephen; Marder, Seth R.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Manca, Jean] Hasselt Univ, X LaB, Univ Campus,Agoralaan 1, B-3590 Diepenbeek, Belgium. [Fan, Yeli] Southeast Univ, Sch Chem & Chem Engn, Nanjing 211189, Jiangsu, Peoples R China. | Document URI: | http://hdl.handle.net/1942/23755 | ISSN: | 0002-7863 | e-ISSN: | 1520-5126 | DOI: | 10.1021/jacs.6b12857 | ISI #: | 000393355600055 | Rights: | © 2017 American Chemical Society | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2018 |
Appears in Collections: | Research publications |
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jacs%2E6b12857.pdf Restricted Access | Published version | 1.54 MB | Adobe PDF | View/Open Request a copy |
JACS-MS_author-version.pdf | Peer-reviewed author version | 490 kB | Adobe PDF | View/Open |
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