Theoretical Study on the Photoelectric Properties of a Class of Copolymers Based on Benzodithiophene for Solar Cells

Table 1

Maximum absorption wavelengths (), oscillator strengths (), the lowest excitation energies, and main configuration of monomers.

Monomer	(nm)		(eV)	Main configuration
BDTTBT	607	0.81	2.04	HOMO → LUMO (99%)
BDTTTP	706	0.61	1.76	HOMO → LUMO (99%)
BDTTTO	718	0.63	1.73	HOMO → LUMO (100%)
BDTTTPD	538	0.96	2.30	HOMO → L + 1 (97%)
BDTTFPD	540	0.85	2.30	HOMO → L + 1 (83%)