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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/23755

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
Citation: 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.
URI: http://hdl.handle.net/1942/23755
DOI: 10.1021/jacs.6b12857
ISI #: 000393355600055
ISSN: 0002-7863
Category: A1
Type: Journal Contribution
Appears in Collections: Research publications

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