The unique coordination configuration of single‐atom materials (SAMs) allows precise reaction control at atomic‐level and a potential of unusual electrochemical reaction. Nevertheless, it is a big challenge to prepare main group element with high loading content. Here, multifield‐regulated synthesis (MRS) technology is utilized to rapidly produce single‐atom antimony (Sb) metal with a high loading of 15 wt.%. Ab initio molecular dynamics simulations reveal the significantly enhanced reaction kinetics of Sb and nitrogen‐doped graphene by multi‐physics field coupling. Compared with common metallic Sb nanoparticles, atomically dispersed Sb displays remarkably improved electrochemical reaction kinetics and stable structure due to the negligible variation of stresses and volume expansion during the pseudocapacitive alloying‐dealloying process. Such extraordinary alloying reaction in well‐dispersed Sb atoms enabling homogeneous ion flow can serve as active nucleation sites for regulating even Na metal nucleation and growth. As a result, copper foil coated with only ≈3 µm thickness of such material exhibits a high Coulombic efficiency of up to 99.99%, an ultra‐low overpotential of 3 mV, and a long lifetime exceeding 2500 h in symmetrical cells. Furthermore, an anode‐free MRS‐SbSA||Na3V2(PO4)3 battery is constructed, which demonstrates exceptionally high energy density (≈362 Wh Kg−1), outstanding rate capability and good cycling stability.

中文翻译：

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通过单原子锑的非凡合金反应实现高度可逆的钠金属电池


单原子材料 （SAM） 的独特配位配置允许在原子水平上进行精确的反应控制，并有可能发生不寻常的电化学反应。然而，准备具有高加载内容的主组单元是一个很大的挑战。在这里，多场调节合成 （MRS） 技术用于快速生产负载量为 15 wt.% 的单原子锑 （Sb） 金属。Ab initio 分子动力学模拟揭示了多物理场耦合对 Sb 和氮掺杂石墨烯的反应动力学的显著增强。与普通金属 Sb 纳米颗粒相比，原子分散的 Sb 在伪电容合金化-脱合金过程中的应力和体积膨胀变化可以忽略不计，因此表现出显著改善的电化学反应动力学和稳定的结构。在分散良好的 Sb 原子中，这种非凡的合金反应使离子流动均匀，可以作为调节 Na 金属成核和生长的活性成核位点。因此，仅涂覆 ≈3 μm 厚此类材料的铜箔在对称单元中表现出高达 99.99% 的高库仑效率、3 mV 的超低过电位以及超过 2500 小时的长寿命。此外，无阳极 MRS-SbSA||构建了 Na3V2（PO4）3 电池，表现出极高的能量密度 （≈362 Wh Kg−1）、出色的倍率能力和良好的循环稳定性。