Hydrogen Bond-Induced Resonant Charge Transport at the Single-Molecule Scale

IF 9.2 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

CCS Chemistry Pub Date : 2026-07-02 DOI:10.31635/ccschem.026.202607679

Jieyao Lv, Qingqing Wu, Nan Guo, Chaochao Pan, Shiqi Sheng, Songjun Hou, Ruiqin Sun, Jun Chen, Shiyong Yu, Colin J. Lambert, Wenjing Hong & Zhibing Tan1College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 0100212State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 3610053Department of Physics, Lancaster University, Lancaster LA1 4YB

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Abstract

CCS Chemistry, Ahead of Print.
Hydrogen bonds are essential for life science and play a vital role in charge transport in supramolecular and biological systems. Here, we investigate the role of hydrogen bonds in charge transport through a series of hydrogen-bonded supramolecular junctions using the scanning tunneling microscopy break junction technique. We found that the insertion of a single pair of hydrogen bonds leads to the decrease of the decay constant β from 3.42 to 1.01 nm−1, which significantly enhances charge transport through the hydrogen-bonded supramolecular junctions with a distance of more than one nanometer. Density functional theory calculations show that hydrogen bonds introduce new resonances within the hydrogen-bonded molecular junctions, which change the charge transport from off-resonance transport to resonant transport. This work provides a new fundamental understanding of the role of hydrogen bonds in enhancing charge transport in natural and artificial supramolecular systems.

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单分子尺度下氢键诱导的共振电荷输运

CCS化学，领先于印刷。氢键在生命科学中是必不可少的，在超分子和生物系统的电荷传输中起着至关重要的作用。在这里，我们利用扫描隧道显微镜断裂结技术研究了氢键在通过一系列氢键超分子结的电荷传输中的作用。我们发现，单对氢键的插入导致衰变常数β从3.42减小到1.01 nm−1，这显著增强了电荷通过距离大于1纳米的氢键超分子结的输运。密度泛函理论计算表明，氢键在氢键分子结内引入了新的共振，使电荷输运从非共振输运转变为共振输运。这项工作为氢键在自然和人工超分子体系中增强电荷输运的作用提供了新的基本认识。

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来源期刊

CCS Chemistry Chemistry-General Chemistry

CiteScore

13.60

自引率

13.40%

发文量

475

审稿时长

10 weeks

期刊介绍： CCS Chemistry, the flagship publication of the Chinese Chemical Society, stands as a leading international chemistry journal based in China. With a commitment to global outreach in both contributions and readership, the journal operates on a fully Open Access model, eliminating subscription fees for contributing authors. Issued monthly, all articles are published online promptly upon reaching final publishable form. Additionally, authors have the option to expedite the posting process through Immediate Online Accepted Article posting, making a PDF of their accepted article available online upon journal acceptance.