Abstract:Three acenaphthopyrazine derivatives were designed and synthesized,where pyrazine groups were used as the electron acceptor connected by carboxyl acids to aromatic groups used as electron donor, applied for dye-sensitized solar cells (DSSC). A higher total solar energy conversion efficiency (η) of 3.06 % was obtained for the 3-(diphenylamino) acenaphtho [1,2] pyrazine-8-carboxylic acid (Va), compared with the conventional N719 dye which gives 7.05% under the same conditions. The range of absorption of the dye Va is concentrated upon 400 to 500 nm and the votage of LUMO is -1.10 eV, which indicated that the process of electron injected into CB of TiO2 to form the excited dyes is feasible in thermodynamics. The data of EHOMO 1.31eV, more positive than I-/I3- redox couple 0.4eV, also indicated that the oxidized dyes could be reduced effectively by electrolyte and then regenerated.