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  • Review Article
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Quantum correlation behaviour in single-molecule junctions

Nature Reviews Physics volume 8, pages 9–26 (2026)Cite this article

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Abstract

Single-molecule junctions (SMJs), representing the ultimate limit of electronic device miniaturization, show fascinating quantum phenomena due to the dominance of quantum effects at this scale. Although theoretical frameworks have provided valuable insights into SMJ behaviour, the complexity of real-world molecular junctions necessitates a more comprehensive understanding of the interplay between various factors, including molecule–electrode interfaces, electron–phonon interactions, spin–orbit coupling and electron–electron correlations. This Review explores the interplay between quantum correlation effects, such as quantum interference, vibrational effects, molecular exciton behaviour on electronic transport and quantum spin phenomena through discussion of experimental breakthroughs alongside a critical analysis of the relevant theoretical models. A unified perspective on the diverse range of quantum phenomena observable in SMJs is provided, with the aim of stimulating further research and the development of novel device functionalities exploiting these effects.

Key points

  • Electron transport in single-molecule junctions is governed by quantum phase relationships between discrete molecular orbitals, enabling wave-like interference phenomena that unify vibrational, excitonic and spin-dependent quantum processes.

  • Electron–vibron interactions dictate charge transport regimes, mediated by molecular dipoles and probed through inelastic electron tunnelling spectroscopy and tip-enhanced Raman spectroscopy, with thermal gradients and external fields modulating vibrational decoherence pathways.

  • Strong coupling between molecular excitons and localized surface plasmons generates exciton-plasmon hybrid states, enabling gate-tunable Rabi splitting, sub-bandgap electroluminescence and quantum-coherent energy transfer.

  • Kondo phenomena and spin-valve effects emerge from correlated spin-electrode interactions, allowing electrical and magnetic control over many-body quantum states including multistage Kondo screening and pseudo-singlet–triplet transitions.

  • Nuclear and electronic spin coherence is engineered through hyperfine Stark effects, zero-Zeeman clock transitions and symmetry-optimized ligand fields, enabling single-molecule spin qubit platforms.

  • Future development focuses on overcoming coherence preservation challenges through chirality-induced spin selectivity, topological protection strategies and machine learning-guided hybridization of molecular quantum systems with classical architectures.

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Fig. 1: Diagram of quantum transport phenomena across size scales, governed by conductance and energy relationships.
Fig. 2: Single-molecule electron–vibron coupling dynamics.
Fig. 3: Single-molecule exciton electronics.
Fig. 4: Local spin dynamics in single-molecule magnet.

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Acknowledgements

The authors acknowledge funding from the Key Research and Development Plan of Shaanxi Province (no. 2024GX-ZDCYL-01-06), the National Natural Science Foundation of China (no. 62571553) and the CNPC Basic and Forward-looking Science & Technology Program (no. 2025DJ106).

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Authors and Affiliations

  1. State Key Laboratory of Oil and Gas Equipment, China National Petroleum Corporation Tubular Goods Research Institute (TGRI), Xi’an, China

    Yuxin Zhao

  2. Beijing National Center for Condensed Matter Physics, Beijing Key Laboratory for Nanomaterials and Nanodevices, Institute of Physics, Chinese Academy of Sciences, Beijing, China

    Wenjie Liang

  3. School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, Singapore, Singapore

    Yanli Zhao

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Zhao, Y., Liang, W. & Zhao, Y. Quantum correlation behaviour in single-molecule junctions. Nat Rev Phys 8, 9–26 (2026). https://doi.org/10.1038/s42254-025-00888-4

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