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http://hdl.handle.net/1942/23755
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DC Field | Value | Language |
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dc.contributor.author | VANDEWAL, Koen | - |
dc.contributor.author | Benduhn, Johannes | - |
dc.contributor.author | Schellhammer, Karl Sebastian | - |
dc.contributor.author | VANGERVEN, Tim | - |
dc.contributor.author | Rueckert, Janna E. | - |
dc.contributor.author | PIERSIMONI, Fortunato | - |
dc.contributor.author | Scholz, Reinhard | - |
dc.contributor.author | Zeika, Olaf | - |
dc.contributor.author | Fan, Yeli | - |
dc.contributor.author | Barlow, Stephen | - |
dc.contributor.author | Neher, Dieter | - |
dc.contributor.author | Marder, Seth R. | - |
dc.contributor.author | MANCA, Jean | - |
dc.contributor.author | SPOLTORE, Donato | - |
dc.contributor.author | Cuniberti, Gianaurelio | - |
dc.contributor.author | Ortmann, Frank | - |
dc.date.accessioned | 2017-05-18T12:57:22Z | - |
dc.date.available | 2017-05-18T12:57:22Z | - |
dc.date.issued | 2017 | - |
dc.identifier.citation | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139(4), p. 1699-1704 | - |
dc.identifier.issn | 0002-7863 | - |
dc.identifier.uri | http://hdl.handle.net/1942/23755 | - |
dc.description.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. | - |
dc.description.sponsorship | This work was supported by the German Federal Ministry for Education and Research (BMBF) through the InnoProfille project "Organische p-i-n Bauelemente 2.2". F.O. would like to thank the German Research Foundation (DFG) for financial support (Grant OR 349/1). This work was partly supported by the DFG within the Cluster of Excellence "Center for Advancing Electronics Dresden." F.P. and D.N. acknowledge funding by the DFG via the SFB 951 "HIOS". T.V. acknowledges the Agency for Innovation by Science and Technology in Flanders (IWT) for funding his Ph.D. The work at Georgia Tech was supported by the Department of the Navy, Office of Naval Research Award No. N00014-14-1-0580 (CAOP MURI) and through a state-sponsored scholarship for graduate students to Y.F. from the China Scholarship Council. We acknowledge the Center for Information Services and High Performance Computing (ZIH) at TU Dresden for computational resources. We thank Prof. Bauerle from the University of Ulm for the supply of DH4T and DH6T and Markus Hummert for P4-Ph4-DIP and BP-Bodipy. | - |
dc.language.iso | en | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.rights | © 2017 American Chemical Society | - |
dc.title | Absorption Tails of Donor:C-60 Blends Provide Insight into Thermally Activated Charge-Transfer Processes and Polaron Relaxation | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 1704 | - |
dc.identifier.issue | 4 | - |
dc.identifier.spage | 1699 | - |
dc.identifier.volume | 139 | - |
local.format.pages | 6 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.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. | - |
local.publisher.place | WASHINGTON | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.identifier.doi | 10.1021/jacs.6b12857 | - |
dc.identifier.isi | 000393355600055 | - |
item.contributor | VANDEWAL, Koen | - |
item.contributor | Benduhn, Johannes | - |
item.contributor | Schellhammer, Karl Sebastian | - |
item.contributor | VANGERVEN, Tim | - |
item.contributor | Rueckert, Janna E. | - |
item.contributor | PIERSIMONI, Fortunato | - |
item.contributor | Scholz, Reinhard | - |
item.contributor | Zeika, Olaf | - |
item.contributor | Fan, Yeli | - |
item.contributor | Barlow, Stephen | - |
item.contributor | Neher, Dieter | - |
item.contributor | Marder, Seth R. | - |
item.contributor | MANCA, Jean | - |
item.contributor | SPOLTORE, Donato | - |
item.contributor | Cuniberti, Gianaurelio | - |
item.contributor | Ortmann, Frank | - |
item.validation | ecoom 2018 | - |
item.fullcitation | 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 (2017) Absorption Tails of Donor:C-60 Blends Provide Insight into Thermally Activated Charge-Transfer Processes and Polaron Relaxation. In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139(4), p. 1699-1704. | - |
item.accessRights | Open Access | - |
item.fulltext | With Fulltext | - |
crisitem.journal.issn | 0002-7863 | - |
crisitem.journal.eissn | 1520-5126 | - |
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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