Spectra and Charge Transport of Polar Molecular Photoactive Layers Used for Solar Cells

Table 4

Transition energy and oscillator strengths for four molecules ().

Molecules	State	Transition energy (eV/nm)	Strength	Contribution MO
P1	1	2.815/440.5		HL/0.61449
	2	3.255/380.9		H-1L/0.45831
	3	3.595/344.9		H-2L/0.49608
	4	3.745/331.1		H-4L/0.44023
	5	3.816/324.9		H-3L/0.36946
P2	1	2.877/430.9		HL/0.58998
	2	3.188/388.9		HL+1/0.46750
	3	3.601/344.4		H-2L/0.30969
	4	3.701/335.1		H-4L/0.34570
	5	3.728/332.6		H-5L/0.46236
P3	1	2.210/561.0		HL/0.66110
	2	2.384/520.0		HL+1/0.61856
	3	2.442/507.8		H-1L/0.58972
	4	2.565/483.4		H-1L+1/0.52039
	5	2.638/469.9		HL+2/0.63202
Pb	1	2.409/514.7		HL/0.52475
	2	2.686/461.6		HL+1/0.47191
	3	3.030/409.2		H-1L+2/0.29611
	4	3.283/377.7		H-2L/0.33363
	5	3.406/364.0		H-2L+1/0.35426