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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.

Supplementary Material

Figure S1 shows the contour plot of potential energy as functions of torsional angles a and β. The contour plot has a minimum at a = β = 0° and a maximum at a = β = 90°. The maximum is connected with other three local minima via local maxima. Refer to the text for detailed discussion.

Figure S2 shows the two-dimensional HOMO-LUMO surface as functions of torsional angles a and β. The HOMO-LUMO surface has a minimum at a = β = 0° and a maximum at a = β = 90°. There are three local minima at a = 0° and β = 180°, a = 180° and β = 0°, and a = 180° and β = 180°, respectively. These local maxima are connected by three local minima. Refer to the text for detailed discussion.

  1. Supplementary Material