Multi-dimensional charge transport in supramolecular helical foldamer assemblies,Chemical Science

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Multi-dimensional charge transport in supramolecular helical foldamer assemblies
Chemical Science ( IF 7.6 ) Pub Date : 2017-09-13 00:00:00 , DOI: 10.1039/c7sc03341a
Alejandro Méndez-Ardoy _{1,

2,

3} , Nagula Markandeya _{3,

4,

5} , Xuesong Li _{3,

4,

5} , Yu-Tang Tsai _{1,

2,

3} , Gilles Pecastaings _{3,

5,

6} , Thierry Buffeteau _{1,

2,

3} , Victor Maurizot _{3,

4,

5} , Luca Muccioli _{1,

2,

3} , Frédéric Castet _{1,

2,

3} , Ivan Huc _{3,

4,

5} , Dario M. Bassani _{1,

2,

3}

Affiliation

Aromatic foldamers are bioinspired architectures whose potential use in materials remains largely unexplored. Here we report our investigation of vertical and horizontal charge transport over long distances in helical oligo-quinolinecarboxamide foldamers organized as single monolayers on Au or SiO₂. Conductive atomic force microscopy showed that vertical conductivity is efficient and that it displays a low attenuation with foldamer length (0.06 Å⁻¹). In contrast, horizontal charge transport is found to be negligible, demonstrating the strong anisotropy of foldamer monolayers. Kinetic Monte Carlo calculations were used to probe the mechanism of charge transport in these helical molecules and revealed the presence of intramolecular through-space charge transfer integrals approaching those found in pentacene and rubrene crystals, in line with experimental results. Kinetic Monte Carlo simulations of charge hopping along the foldamer chain evidence the strong contribution of multiple 1D and 3D pathways in these architectures and their dependence on conformational order. These findings show that helical foldamer architectures may provide a route for achieving charge transport over long distance by combining multiple charge transport pathways.

中文翻译：

超分子螺旋折叠组件中的多维电荷传输

芳香族折叠剂是受生物启发的体系结构，其在材料中的潜在用途在很大程度上尚未得到开发。在这里，我们报告了我们在长距离中垂直和水平电荷传输的研究，该过程是在Au或SiO ₂上以单层形式组织的螺旋低聚喹啉羧酰胺折叠剂。导电原子力显微镜显示垂直电导率是有效的，并且显示出随折叠长度（0.06Å ^-1）的低衰减）。相反，发现水平电荷传输可以忽略不计，这表明了折叠单分子层的强各向异性。动力学蒙特卡洛计算被用来探测这些螺旋分子中电荷传输的机理，并揭示了分子内通过空间电荷转移积分的存在，其接近并五苯和红荧烯晶体中发现的电荷，这与实验结果相符。沿折叠链进行电荷跳跃的动力学蒙特卡洛模拟证明了这些结构中多个1D和3D途径的强大贡献以及它们对构象顺序的依赖性。这些发现表明，螺旋折叠结构可通过组合多个电荷传输途径来提供实现长距离电荷传输的途径。

更新日期：2017-09-25

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