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The Scientific World Journal
Volume 2013, Article ID 890215, 8 pages
Research Article

Effect of Electronic Acceptor Segments on Photophysical Properties of Low-Band-Gap Ambipolar Polymers

1College of Science, Northeast Forestry University, Harbin 150040, China
2School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024, China
3College of Science, Jiamusi University, Jiamusi 154001, China
4Department of Physics, Liaoning University, Shenyang 110036, China

Received 6 November 2012; Accepted 17 December 2012

Academic Editors: J. Karwowski, A. Kochur, and B. Zygelman

Copyright © 2013 Yuanzuo Li et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Stimulated by a recent experimental report, charge transfer and photophysical properties of donor-acceptor ambipolar polymer were studied with the quantum chemistry calculation and the developed 3D charge difference density method. The effects of electronic acceptor strength on the structure, energy levels, electron density distribution, ionization potentials, and electron affinities were also obtained to estimate the transporting ability of hole and electron. With the developed 3D charge difference density, one visualizes the charge transfer process, distinguishes the role of molecular units, and finds the relationship between the role of DPP and excitation energy for the three polymers during photo-excitation.