Table of Contents Author Guidelines Submit a Manuscript
International Journal of Photoenergy
Volume 2015 (2015), Article ID 708048, 7 pages
http://dx.doi.org/10.1155/2015/708048
Research Article

Structural Dependence of Electronic Properties in A-A-D-A-A-Type Organic Solar Cell Material

Department of Polymer Science, The University of Akron, Akron, OH 44325, USA

Received 27 October 2014; Accepted 12 January 2015

Academic Editor: David Worrall

Copyright © 2015 Ram S. Bhatta and Mesfin Tsige. 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.

Linked References

  1. C. J. Brabec, N. S. Sariciftci, and J. C. Hummelen, “Plastic solar cells,” Advanced Functional Materials, vol. 11, no. 1, pp. 15–26, 2001. View at Publisher · View at Google Scholar
  2. H. Hoppe and N. S. Sariciftci, “Organic solar cells: an overview,” Journal of Materials Research, vol. 19, no. 7, pp. 1924–1945, 2004. View at Publisher · View at Google Scholar · View at Scopus
  3. N. Serdar Sariciftci, “Plastic photovoltaic devices,” Materials Today, vol. 7, no. 8, pp. 36–40, 2004. View at Publisher · View at Google Scholar · View at Scopus
  4. S. B. Darling and F. You, “The case for organic photovoltaics,” RSC Advances, vol. 3, no. 39, pp. 17633–17648, 2013. View at Publisher · View at Google Scholar · View at Scopus
  5. Z. He, C. Zhong, S. Su, M. Xu, H. Wu, and Y. Cao, “Enhanced power-conversion efficiency in polymer solar cells using an inverted device structure,” Nature Photonics, vol. 6, no. 9, pp. 591–595, 2012. View at Publisher · View at Google Scholar · View at Scopus
  6. J. Roncali, P. Leriche, and P. Blanchard, “Molecular materials for organic photovoltaics: small is beautiful,” Advanced Materials, vol. 26, no. 23, pp. 3821–3838, 2014. View at Publisher · View at Google Scholar
  7. J. Roncali, P. Frère, P. Blanchard et al., “Molecular and supramolecular engineering of π-conjugated systems for photovoltaic conversion,” Thin Solid Films, vol. 511-512, pp. 567–575, 2006. View at Publisher · View at Google Scholar · View at Scopus
  8. Y. Sun, G. C. Welch, W. L. Leong, C. J. Takacs, G. C. Bazan, and A. J. Heeger, “Solution-processed small-molecule solar cells with 6.7% efficiency,” Nature Materials, vol. 11, no. 1, pp. 44–48, 2012. View at Publisher · View at Google Scholar · View at Scopus
  9. L.-Y. Lin, C.-W. Lu, W.-C. Huang, Y.-H. Chen, H.-W. Lin, and K.-T. Wong, “New A-A-D-A-A-type electron donors for small molecule organic solar cells,” Organic Letters, vol. 13, no. 18, pp. 4962–4965, 2011. View at Publisher · View at Google Scholar · View at Scopus
  10. S. Roquet, A. Cravino, P. Leriche, O. Alévêque, P. Frère, and J. Roncali, “Triphenylamine-thienylenevinylene hybrid systems with internal charge transfer as donor materials for heterojunction solar cells,” Journal of the American Chemical Society, vol. 128, no. 10, pp. 3459–3466, 2006. View at Publisher · View at Google Scholar · View at Scopus
  11. J. Zhou, X. Wan, Y. Liu et al., “Small molecules based on benzo[1,2-b:4,5-b′]dithiophene unit for high-performance solution-processed organic solar cells,” Journal of the American Chemical Society, vol. 134, no. 39, pp. 16345–16351, 2012. View at Publisher · View at Google Scholar · View at Scopus
  12. H. Lu, C. Lu, Y. Lee et al., “New molecular donors with dithienopyrrole as the electron-donating group for efficient small-molecule organic solar cells,” Chemistry of Materials, vol. 26, no. 15, pp. 4361–4367, 2014. View at Publisher · View at Google Scholar
  13. H.-C. Ting, Y.-H. Chen, L.-Y. Lin et al., “Benzochalcogenodiazole-based donor-acceptor-acceptor molecular donors for organic solar cells,” ChemSusChem, vol. 7, no. 2, pp. 457–465, 2014. View at Publisher · View at Google Scholar · View at Scopus
  14. D. Demeter, S. Mohamed, A. Diac, I. Grosu, and J. Roncali, “Small molecular donors for organic solar cells obtained by simple and clean synthesis,” ChemSusChem, vol. 7, no. 4, pp. 1046–1050, 2014. View at Publisher · View at Google Scholar · View at Scopus
  15. A. Mishra and P. Bäuerle, “Small molecule organic semiconductors on the move: promises for future solar energy technology,” Angewandte Chemie - International Edition, vol. 51, no. 9, pp. 2020–2067, 2012. View at Publisher · View at Google Scholar · View at Scopus
  16. P. Hohenberg and W. Kohn, “Inhomogeneous electron gas,” Physical Review, vol. 136, pp. B864–B871, 1964. View at Google Scholar · View at MathSciNet
  17. A. D. Becke, “Density-functional thermochemistry. III. The role of exact exchange,” The Journal of Chemical Physics, vol. 98, no. 7, pp. 5648–5652, 1993. View at Publisher · View at Google Scholar · View at Scopus
  18. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian 09, Revision D.01, Gaussian Inc., Wallingford, Conn, USA, 2009.
  19. S. Grimme, “Semiempirical GGA-type density functional constructed with a long-range dispersion correction,” Journal of Computational Chemistry, vol. 27, no. 15, pp. 1787–1799, 2006. View at Publisher · View at Google Scholar · View at Scopus
  20. R. S. Bhatta, D. S. Perry, and M. Tsige, “Nanostructures and electronic properties of a high-efficiency electron-donating polymer,” The Journal of Physical Chemistry A, vol. 117, no. 47, pp. 12628–12634, 2013. View at Publisher · View at Google Scholar · View at Scopus
  21. R. S. Bhatta and D. S. Perry, “Correlated backbone torsional potentials in poly(3-methylthiophene),” Computational and Theoretical Chemistry, vol. 1008, pp. 90–95, 2013. View at Publisher · View at Google Scholar · View at Scopus
  22. R. S. Bhatta, M. Tsige, and D. S. Perry, “Torsionally-induced blue shift of the band gap in poly(3-hexylthiophene),” Journal of Computational and Theoretical Nanoscience, vol. 11, no. 10, pp. 2157–2164, 2014. View at Publisher · View at Google Scholar
  23. M. D'Auria, L. Emanuele, and R. Racioppi, “Regio- and stereoselectivity in the Paternò-Büchi reaction on furan derivatives,” International Journal of Photoenergy, vol. 2006, Article ID 84645, 11 pages, 2006. View at Publisher · View at Google Scholar · View at Scopus
  24. T. Chokbunpiam, P. Thamyongkit, O. Saengsawang, and S. Hannongbua, “Molecular structure and electronic properties of porphyrin-thiophene-perylene using quantum chemical calculation,” International Journal of Photoenergy, vol. 2010, Article ID 492313, 8 pages, 2010. View at Publisher · View at Google Scholar
  25. T. Yakhanthip, N. Kungwan, J. Jitonnom, P. Anuragudom, S. Jungsuttiwong, and S. Hannongbua, “Theoretical investigation on the electronic and optical properties of poly(fluorenevinylene) derivatives as light-emitting materials,” International Journal of Photoenergy, vol. 2011, Article ID 570103, 9 pages, 2011. View at Publisher · View at Google Scholar · View at Scopus
  26. E. Runge and E. K. U. Gross, “Density-functional theory for time-dependent systems,” Physical Review Letters, vol. 52, no. 12, pp. 997–1000, 1984. View at Publisher · View at Google Scholar · View at Scopus
  27. T. Yanai, D. P. Tew, and N. C. Handy, “A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP),” Chemical Physics Letters, vol. 393, no. 1–3, pp. 51–57, 2004. View at Publisher · View at Google Scholar · View at Scopus
  28. H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, “A long-range correction scheme for generalized-gradient-approximation exchange functionals,” Journal of Chemical Physics, vol. 115, no. 8, pp. 3540–3544, 2001. View at Publisher · View at Google Scholar · View at Scopus
  29. J.-D. Chai and M. Head-Gordon, “Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections,” Physical Chemistry Chemical Physics, vol. 10, no. 44, pp. 6615–6620, 2008. View at Publisher · View at Google Scholar · View at Scopus