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Resonant Transport in Single-Diketopyrrolopyrrole Junctions
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2018-10-03 , DOI: 10.1021/jacs.8b06964
Yaping Zang 1 , Suman Ray 2 , E-Dean Fung 1 , Anders Borges 3 , Marc H. Garner 3 , Michael L. Steigerwald 4 , Gemma C. Solomon 3 , Satish Patil 2 , Latha Venkataraman 1, 4
Affiliation  

We study the single-molecule transport properties of small bandgap diketopyrrolopyrrole oligomers (DPP n, n = 1-4) with lengths varying from 1 to 5 nm. At a low bias voltage, the conductance decays exponentially as a function of length indicative of nonresonant transport. However, at a high bias voltage, we observe a remarkably high conductance close to 10-2 G0 with currents reaching over 0.1 μA across all four oligomers. These unique transport properties, together with density functional theory-based transport calculations, suggest a mechanism of resonant transport across the highly delocalized DPP backbones in the high bias regime. This study thus demonstrates the unique properties of diketopyrrolopyrrole derivatives in achieving highly efficient long-range charge transport in single-molecule devices.

中文翻译:

单二酮吡咯并吡咯结中的共振输运

我们研究了长度从 1 到 5 nm 不等的小带隙二酮吡咯并吡咯低聚物 (DPP n, n = 1-4) 的单分子传输特性。在低偏置电压下,电导作为指示非共振传输的长度的函数呈指数衰减。然而,在高偏置电压下,我们观察到接近 10-2 G0 的非常高的电导,所有四种低聚物的电流都超过 0.1 μA。这些独特的输运特性,连同基于密度泛函理论的输运计算,表明了一种在高偏置状态下跨越高度离域 DPP 骨架的共振输运机制。因此,这项研究证明了二酮吡咯并吡咯衍生物在单分子器件中实现高效长程电荷传输的独特性质。
更新日期:2018-10-03
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