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How Do Disorder, Reorganization, and Localization Influence the Hole Mobility in Conjugated Copolymers?

Title data

Hoffmann, Sebastian T. ; Jaiser, Frank ; Hayer, Anna ; Bässler, Heinz ; Unger, Thomas ; Athanasopoulos, Stavros ; Neher, Dieter ; Köhler, Anna:
How Do Disorder, Reorganization, and Localization Influence the Hole Mobility in Conjugated Copolymers?
In: Journal of the American Chemical Society. Vol. 135 (2013) Issue 5 . - pp. 1772-1782.
ISSN 1520-5126
DOI: https://doi.org/10.1021/ja308820j

Official URL: Volltext

Abstract in another language

In order to unravel the intricate interplay between disorder effects, molecular reorganization, and charge carrier localization, a comprehensive study was conducted on hole transport in a series of conjugated alternating phenanthrene indenofluorene copolymers. Each polymer in the series contained one further comonomer comprising monoamines, diamines, or amine-free structures, whose influence on the electronic, optical, and charge transport properties was studied. The series covered a wide range of highest occupied molecular orbital (HOMO) energies as determined by cyclovoltammetry. The mobility, inferred from time-of-flight (ToF) experiments as a function of temperature and electric field, was found to depend exponentially on the HOMO energy. Since possible origins for this effect include energetic disorder, polaronic effects, and wave function localization, the relevant parameters were determined using a range of methods. Disorder and molecular reorganization were established first by an analysis of absorption and emission measurements and second by an analysis of the ToF measurements. In addition, density functional theory calculations were carried out to determine how localized or delocalized holes on a polymer chain are and to compare calculated reorganization energies with those that have been inferred from optical spectra. In summary, we conclude that molecular reorganization has little effect on the hole mobility in this system while both disorder effects and hole localization in systems with low-lying HOMOs are predominant. In particular, as the energetic disorder is comparable for the copolymers, the absolute value of the hole mobility at room temperature is determined by the hole localization associated with the triarylamine moieties.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie - Univ.-Prof. Dr. Anna Köhler
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 11 Feb 2015 12:16
Last Modified: 13 Feb 2015 11:14
URI: https://eref.uni-bayreuth.de/id/eprint/6692