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探索用于量子技术的单分子磁体。

Exploring Single-Molecular Magnets for Quantum Technologies.

作者信息

Wu Wei, Huang Tianhong, Zhu Jianhua, Zou Taoyu, Wang Hai

机构信息

UCL Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.

Yunnan Key Laboratory of Metal-Organic Molecular Materials and Devices, Kunming University, Kunming 650214, China.

出版信息

Molecules. 2025 Jun 9;30(12):2522. doi: 10.3390/molecules30122522.

Abstract

A single-molecule magnet (SMM) is a molecule that functions as a magnet. SMMs can be explored not only for emerging technology but also the fundamental science of their quantum nature, nanometer sizes, and their ease of engineering. This review encompasses the state-of-the-art experiments and theories developed so far for SMMs. We briefly explore their experimental synthesis and characterization. In the experimental synthesis, we cover 'Click Chemistry' and supramolecular chemistry. The main experimental characterizations comprise superconducting quantum interference devices, electron paramagnetic resonance, neutron scattering, and X-ray magnetic circular dichroism. The theoretical and computational works based on the density functional theory, the post-Hartree-Fock methods, and the theory of open quantum systems are discussed. Moreover, we exemplify the numerous promising research areas for SMMs by discussing quantum technologies. We envision a brilliant future for the fundamental research and emerging applications of SMMs.

摘要

单分子磁体(SMM)是一种具有磁体功能的分子。单分子磁体不仅可用于新兴技术,还可用于研究其量子性质、纳米尺寸及易于工程化的基础科学。本综述涵盖了迄今为止为单分子磁体所开发的最新实验和理论。我们简要探讨了它们的实验合成与表征。在实验合成方面,我们涵盖了“点击化学”和超分子化学。主要的实验表征包括超导量子干涉装置、电子顺磁共振、中子散射和X射线磁圆二色性。讨论了基于密度泛函理论、后哈特里 - 福克方法和开放量子系统理论的理论与计算工作。此外,我们通过讨论量子技术举例说明了单分子磁体众多有前景的研究领域。我们展望单分子磁体基础研究和新兴应用的辉煌未来。

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