Novel Imidazole Substituted Bodipy-Based Organic Sensitizers in Dye-Sensitized Solar Cells

Table 2

Calculated excitation energy characteristics of BPI-T and DPI-T.

Molecule	Wavelength (nm)	f^a	Energy level (eV)	Composition (%)^b,c
BPI-T	690	0.04	1.80	H→L (70%)
	481	0.35	2.58	H–1→L (64%)
	444	0.58	2.79	H–2→L (57%)
	377	0.13	3.28	H–5→L (61%)
	354	0.24	3.50	H→L + 2 (64%)
	302	0.12	4.11	H–3→L + 1 (59%)
DPI-T	735	0.06	1.69	H→L (70%)
	481	0.34	2.58	H–1→L (64%)
	454	0.75	2.73	H–2→L (67%)
	388	0.45	3.19	H→L + 2 (45%)
	301	0.13	4.11	H–4→L + 1 (52%)

^aThe oscillator strength of a transition. ^bThe composition means contribution of each transition for excitation energies. ^cH→HOMO; L→LUMO.