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The geometries, electronic structures, absorption spectra and the character of excited state for the reported p-type sensitizers O2, O6 and O7 and designed 1–5 with different π-linkers were investigated by DFT and TDDFT calculations, to reveal the influences of π-linkers on the performance of DSSCs. It is found that the higher IPCE of O7 as compared to O6 stems from the improved light harvesting efficiency...
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