Abstract
1,4-Diketopyrrolo[3,4-c] pyrroles (DPP) derivatives have excellent charge transfer properties and are great research objects of single-molecule devices. By introducing different kinds and numbers of five-membered aromatic rings between the DPP core and pyridine anchoring group, we investigate the effects of heteroatom substitution and molecular conjugation length on the electrical transport properties of single-molecule junctions. According to ultraviolet-visible absorption spectra and cyclic voltammetry curves, thiophene connected DPP (named DPPS) has a narrower HOMO-LUMO energy gap than furan connected DPP (named DPPO), resulting in an improved single-molecule conductance for DPPS. Furthermore, we introduce two thiophene units close to the pyridine anchoring groups to extend the conjugation lengths of DPPS and DPPO (named DPPSS and DPPOS respectively). Similarly, DPPSS with a smaller band gap shows a higher conductance than DPPOS. In addition, the lower conductance of DPPSS and DPPOS compared to their respective counterparts DPPS and DPPO can be attributed to the increased molecular length after introducing two thiophene units.
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