Sensitizers of Metal Complexes with Sulfur Coordination Achieving a Power Conversion Efficiency of 12.89

In the study to improve the light absorption range and intensity of dye sensitizers in the visible region and promote their photovoltaic performance, five novel polymeric metal complexes with sulfur coordination (BDTT-VBT-Ni, BDTT-VBT-Cu, BDTT-VBT-Zn, BDTT-VBT-Cd, and BDTT-VBT-Hg) to be used as D-A-π-A motif dye sensitizers were designed, synthesized, and characterized. In these polymeric metal complexes with sulfur coordination, the metal complexes with sulfur coordination of benzodithiophene derivatives are used as auxiliary electron acceptors, 8-quinolinol derivatives are used as π-bridge and electron acceptors, and thienylbenzene-[1,2-b:4,5-b'] dithiophene (BDTT) are used as electron donors. The effect of different metal complexes with sulfur coordination on the photovoltaic performance of dye sensitizers has been systematically studied. Under AM 1.5 irradiation (100 mW cm^-2), the devices of dye-sensitized solar cells (DSSCs) based on five polymeric metal complexes with sulfur coordination exhibited a short-circuit current density (J_sc) of 13.43, 15.07, 18.00, 18.99, and 20.78 mA cm^-2, respectively, and their power conversion efficiencies (PCEs) were 7.10, 8.59, 10.68, 11.23, and 12.89%, respectively, and their thermal decomposition temperatures (T_d) were 251, 257, 265, 276, and 277 °C, respectively. The result shows that the J_sc and PCE of five polymeric metal complexes increase by degrees, and the PCE of BDTT-VBT-Hg is up to 12.89%, which is because of the strength of the coordination bonds between Ni(II), Cu(II), Zn(II), Cd(II), and Hg(II) and sulfur increases in turn so that the electron-withdrawing ability and electron-transfer ability of auxiliary electron acceptors is enhanced. These results provide a new way to develop stable and efficient metal complexes with sulfur coordination dye sensitizers in the future.