DFT Study of Polythiophene Energy Band Gap and Substitution Effects

Figure 2

Optimized C-C bond lengths interring of 8T, 8TOOC, 8TCOC (HH, HT, and TT), and 8TOC (HH, HT, and TT) in neutral states with the number of bonds, studied by B3LY/6-31G(d,p) level.