Effect of heteroatom substitution on the single-molecule conductance of DPP derivatives

Yu Ji; Wenshu Yu; Xingzhou Yang; Xiaodong Liu; Yonghao Zheng

doi:10.1117/12.2672956

25 April 2023 Effect of heteroatom substitution on the single-molecule conductance of DPP derivatives

Yu Ji, Wenshu Yu, Xingzhou Yang, Xiaodong Liu, Yonghao Zheng

Proceedings Volume 12598, Eighth International Conference on Energy Materials and Electrical Engineering (ICEMEE 2022); 125980R (2023) https://doi.org/10.1117/12.2672956
Event: Eighth International Conference on Energy Materials and Electrical Engineering (ICMEE 2022), 2022, Guangzhou, China

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.

Citation Download Citation

Yu Ji, Wenshu Yu, Xingzhou Yang, Xiaodong Liu, and Yonghao Zheng "Effect of heteroatom substitution on the single-molecule conductance of DPP derivatives", Proc. SPIE 12598, Eighth International Conference on Energy Materials and Electrical Engineering (ICEMEE 2022), 125980R (25 April 2023); https://doi.org/10.1117/12.2672956

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