2H-[1,2,3]Triazolo[4,5-c]pyridine Cored Organic Dyes Achieving a High Efficiency: a Systematic Study of the Effect of Different Donors and π Spacers

New D-A-π-A-based isomeric sensitizers, PTNn (n = 1-2) and NPTn (n = 1-5), were synthesized using 2H-[1,2,3]triazolo[4,5-c]pyridine (PT) as an auxiliary acceptor, triphenylamine or N,N-bis[4-(hexyloxy)phenyl]aniline as the donor, furan, thiophene, phenyl, or 3-hexylthiophene as the conjugated spacer, and 2-cyanoacrylic acid as the acceptor and anchor as well. They were used as the sensitizers of dye-sensitized solar cells. The NPTn dyes show better performance than the PTNn dyes. Among them, the best efficiency of 7.92% (∼96%, N719) was obtained with the NPT5 dye, indicating that the PT core could be used as a new building block for the design of high-performance sensitizers in the future. The negative Mulliken charge from the auxiliary acceptor was found to be useful as a semiempirical index for correlation of the molecular structure with the cell efficiency among structurally similar D-A-π-A-type congeners.