Highly efficient panchromatic dye-sensitized solar cells: Synergistic interaction of ruthenium sensitizer with novel co-sensitizers carrying different acceptor units

•Highlights the effect of anchoring groups on co-sensitization performance.•Three novel co-sensitizers have been designed and synthesized.•All the co-sensitizers (N1-3) have the same backbone but different acceptor moiety.•Variation in acceptor group led to a tectonic shift in the efficiency (4.13–9.26%).•Importance of molecular matching between the principle dye and the co-sensitizer.

Herein, we report the molecular design, synthesis and photovoltaic performance studies of three new organic co-sensitizers, N1-3 carrying indole and thiophene units linked to different acceptors/anchoring groups, as co-adsorbents for dye sensitized solar cells. We present the role of anchoring/acceptor units on co-sensitization properties N1-3. Their photo-physical and electrochemical results along with molecular geometry, obtained from Density Functional Theory are utilized to rationalize the influence of co-sensitizer structures on photovoltaic properties for DSSCs. We have shown that, the co-sensitization effect is profoundly dependent upon the anchoring/acceptor unit in the co-adsorbents. Among them, N3 containing 4-aminobenzoic acid shows promising co-sensitization results and exhibits an enhanced efficiency of 9.26%, when co-sensitized with a ruthenium dye, HD-14. Further, the study highlights the importance of molecular matching between the sensitizer and co-sensitizer in enhancing the efficiency. Furthermore, vertical electronic excitations are calculated using time dependent density functional theory studies.

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