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Closest Packing Polymorphism Interfaced Metastable Transition Metal for Efficient Hydrogen Evolution

机译：最近的填充多态性接口亚稳态过渡金属，用于高效氢气进化

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摘要

Metastable materials are promising because of their catalytic properties, high-energy structure, and unique electronic environment. However, the unstable nature inherited from the metastability hinders further performance improvement and practical applications of these materials. Herein, this limitation is successfully addressed by constructing an in situ polymorphism interface (inf) between the metastable hexagonal-close-packed (hcp) phase and its stable counterpart (face-centered cubic, fcc) in cobalt-nickel (CoNi) alloy. Calculations reveal that the interfacial synergism derived from the hcp and fcc phases lowers the formation energy and enhances stability. Consequently, the optimized CoNi-inf exhibits an exceptionally low potential of 72 mV at 10 mA cm(-2)and a Tafel slope of 57 mV dec(-1)for the hydrogen evolution reaction (HER) in 1.0mKOH. Furthermore, it is superior to most state-of-the-art non-noble-metal-based HER catalysts. No noticeable activity decay or structural changes are observed even over 14 h of catalysis. The computational simulation further rationalizes that the interface of CoNi-inf with a suitable d-band center provides uniform sites for hydrogen adsorption, leading to a distinguished HER catalytic activity. This work, therefore, presents a new route for designing metastable catalysts for potential energy conversion.
机译：由于其催化性能，高能量结构和独特的电子环境，亚料材料是有前途的。然而，从亚稳态继承的不稳定性质阻碍了这些材料的进一步性能改进和实际应用。在此，通过在钴 - 镍（CONI）合金中的亚稳六边形封装（HCP）相和其稳定的对应（面为中心的立方，FCC）之间构建原位多态性界面（INF）来成功解决该限制。计算表明，衍生自HCP和FCC相的界面协同作用降低了形成能量并提高了稳定性。因此，优化的Coni-inf在10mA cm（-2）中显示出72mV的特异性低电位，以及57mV DEC（-1）的TAFEL斜率，用于1.0MKOH中的氢进化反应（她）。此外，它优于最先进的非贵金属的催化剂。即使催化超过14小时，均未观察到明显的活性衰减或结构变化。计算模拟进一步合理化，即Coni-Inf与合适的D波段中心的界面提供氢吸附的均匀位点，导致催化活性的差异。因此，这项工作提出了一种用于设计亚稳态催化剂的新途径，用于潜在能量转换。

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  • 来源
    《Advanced Materials》 |2020年第40期|2002857.1-2002857.7|共7页
  • 作者

    Tan Xinyue; Geng Shize; Ji Yujin; Shao Qi; Zhu Ting; Wang Pengtang; Li Youyong; Huang Xiaoqing;

  • 作者单位

    Soochow Univ Coll Chem Chem Engn & Mat Sci Suzhou 215123 Jiangsu Peoples R China;

    Soochow Univ Coll Chem Chem Engn & Mat Sci Suzhou 215123 Jiangsu Peoples R China|Soochow Univ Inst Funct Nano & Soft Mat FUNSOM Suzhou 215123 Jiangsu Peoples R China;

    Soochow Univ Inst Funct Nano & Soft Mat FUNSOM Suzhou 215123 Jiangsu Peoples R China;

    Soochow Univ Coll Chem Chem Engn & Mat Sci Suzhou 215123 Jiangsu Peoples R China|Southern Univ Sci & Technol Guangdong Prov Key Lab Energy Mat Elect Power Shenzhen 518055 Peoples R China;

    Soochow Univ Coll Chem Chem Engn & Mat Sci Suzhou 215123 Jiangsu Peoples R China;

    Soochow Univ Coll Chem Chem Engn & Mat Sci Suzhou 215123 Jiangsu Peoples R China;

    Soochow Univ Inst Funct Nano & Soft Mat FUNSOM Suzhou 215123 Jiangsu Peoples R China;

    Soochow Univ Coll Chem Chem Engn & Mat Sci Suzhou 215123 Jiangsu Peoples R China;

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  • 正文语种 eng
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  • 关键词

    closest packing; electrocatalysts; hydrogen evolution reaction; polymorphism interface; transition metal alloys;

    机译：最近的包装;电催化剂;氢气进化反应;多态性界面;过渡金属合金;

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