Optical Absorption and Electron Injection of 4-(Cyanomethyl)benzoic Acid Based Dyes: A DFT Study

Figure 1

Chemical structures of two molecules AG1 and AG2 and designed nine molecules (AG1, AG1-a, AG1-b, AG1-c, AG1-d, AG1-e, AG2, AG2-a, AG2-b, G2-c, and AG2-d).