Odd-even conductance oscillations in <i>meta</i> -cycloparaphenylenes

Molecular-scale electronics seeks to transcend classical device paradigms by leveraging the quantum nature of charge transport. Molecular orbitals, as electron wave functions, exhibit spatially structured amplitude and nodal patterns that shape electron transmission. Yet, the spatial characteristics are difficult to resolve experimentally in single-molecule junctions. Here, we report the direct observation of length-dependent odd-even conductance oscillations that arise from sampling different regions of a single π-orbital at room temperature. This is enabled by anchor-free single-molecule junctions, where cyclic carbon nanohoop molecules form Au-π contacts with gold electrodes, allowing the intrinsic π-orbital profile to be probed directly. This minimal-contact design preserves orbital symmetry and reveals conductance variations linked to the orbital's spatial amplitude distribution, as corroborated by first-principles transport calculations. These results demonstrate that the spatial structure of an individual molecular orbital can measurably influence room-temperature charge transport, providing a clear framework for understanding orbital contributions in molecular-scale electronic systems.

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Publication Details

Journal
Science Advances
Published
2026-03-04
DOI
https://doi.org/10.1126/sciadv.aeb8037
Primary Topic
Molecular Junctions and Nanostructures
Type
article
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article

Odd-even conductance oscillations in meta -cycloparaphenylenes

Xinzhe Song, Bingchen Liu, Jia‐Nan Gao, J. -F. Lin et al.
Science Advances
Molecular Junctions and Nanostructures
article

Odd-even conductance oscillations in meta -cycloparaphenylenes

Xinzhe Song, Bingchen Liu, Jia‐Nan Gao, J. -F. Lin, Hao Tang, Huan Cong, Chengjia Jing, Daoben Zhu, Kai Song, Yaping Zang, Yongfeng Wang
article en

Abstract

Molecular-scale electronics seeks to transcend classical device paradigms by leveraging the quantum nature of charge transport. Molecular orbitals, as electron wave functions, exhibit spatially structured amplitude and nodal patterns that shape electron transmission. Yet, the spatial characteristics are difficult to resolve experimentally in single-molecule junctions. Here, we report the direct observation of length-dependent odd-even conductance oscillations that arise from sampling different regions of a single π-orbital at room temperature. This is enabled by anchor-free single-molecule junctions, where cyclic carbon nanohoop molecules form Au-π contacts with gold electrodes, allowing the intrinsic π-orbital profile to be probed directly. This minimal-contact design preserves orbital symmetry and reveals conductance variations linked to the orbital's spatial amplitude distribution, as corroborated by first-principles transport calculations. These results demonstrate that the spatial structure of an individual molecular orbital can measurably influence room-temperature charge transport, providing a clear framework for understanding orbital contributions in molecular-scale electronic systems.

Science AdvancesVol. 12(10)
Chinese Academy of Sciences (CN), Peking University (CN), Beijing National Laboratory for Molecular Sciences (CN), Technical Institute of Physics and Chemistry (CN), Institute of Chemistry (CN), University of Chinese Academy of Sciences (CN), Huazhong University of Science and Technology (CN), Wuhan Institute of Technology (CN)
Openalex Percentile: Top 37%
Molecular Junctions and Nanostructures
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Odd-even conductance oscillations in <i>meta</i> -cycloparaphenylenes — Xinzhe Song, Bingchen Liu, et al. · Science Advances (2026) | TGRS Research Map | TGRS