journal article·2025-02-04

Identifying Carbon–Carbon Triple Bonds from Double Bonds via Single-Molecule Conductance

Sifan You, Yixuan Gao, Yanning Tang, Chaojie Xu, Jing He, Xuechao Li, Haiming Zhang, Shixuan Du, Lifeng Chi

ACS Nano· Volume 19· Issue 4
Publisher page

Abstract

Molecular-scale electronics focuses on understanding and utilizing charge transport through individual molecules. A key issue is the charge transport capability of a single molecule characterized by current decay. We visualize the on-site formation of conjugated polymers with varying carbon-carbon bond orders by using scanning tunneling microscopy and noncontact atomic force microscopy. Although carbon-carbon double bonds and triple bonds exhibit similar electronic characteristics, single-molecule conductance measurements reveal distinct features based on different levels of conjugation. These findings, supported by density functional theory calculations, indicate that a higher bond order results in greater electron density and more symmetric molecular orbitals, leading to larger transmission rates and more rigid frontier orbitals. Consequently, this contributes to a higher conductance and a lower decay constant. These findings enhance the understanding of bond orders in molecular electronics and should facilitate the development of single-molecule devices and the applications of nanoscale circuitry.
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Research context

OpenAlex topics: Molecular Junctions and Nanostructures · Surface Chemistry and Catalysis · Force Microscopy Techniques and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Joint International Research Laboratory of Carbon-Based Functional Materials and Devices

Soochow University

State Key Laboratory for Advanced Metals and Materials

University of Science and Technology Beijing

Institute of Physics & University of Chinese Academy of Sciences, Chinese Academy of Sciences

Songshan Lake Materials Laboratory

Funding

Collaborative Innovation Center of Suzhou Nano Science and Technology · National Key Research and Development Program of China · China Postdoctoral Science Foundation · Fundamental Research Funds for the Central Universities · National Natural Science Foundation of China · Priority Academic Program Development of Jiangsu Higher Education Institutions · Suzhou Key Laboratory of Surface and Interface Intelligent Matter · Jiangsu Excellent Postdoctoral Program

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