Computational Prediction of Electronic and Photovoltaic Properties of Anthracene-Based Organic Dyes for Dye-Sensitized Solar Cells

Figure 7

(a) The ESP on the VDW surface of MS3, TY3, and TY6; red and blue points represent maximum and minimum values, respectively. The extrema ESP (in kcal/mol) points on the molecular surface are marked. (b) The molecular surface area of different electrostatic potential interval; the electrostatic potential interval is divided into 15 equal parts.

(a)

(b)