Highly Stable Twin Defects Enabled by High Entropy Configuration.

Journal: Angewandte Chemie (International ed. in English)
Published Date: Dec 26, 2025

Abstract

The strategic engineering of crystalline defects has been proven effective in enhancing the efficiency of metallic catalysts. However, owing to the confined and metastable nature of these defects, controlling their formation in nanosized particles remains challenging, especially in multi-element alloy catalysts, where complex interactions further complicate defect stabilization. Herein, we report concentrated and stable twin defects in carbon-confined FeCoNiMn nanocatalysts (denoted as T-FeCoNiMn/C), spotlighting entropy-sensitive formation mechanisms and durable catalytic performance. By integrating deep learning, in situ transmission electron microscopy (TEM) and molecular dynamics simulations, we reveal the atomic-scale strain distribution in T-FeCoNiMn/C and disclose the multi-step formation dynamics of these twin defects. Notably, the entropy-enhanced multielement nature endows twin defects with highly flexible atomic configurations and a broad energy landscape, allowing structurally adaptable high-energy configurations to relax into more energetically favorable twins rather than detwinning; ultimately, highly concentrated and stable twin configurations prevail throughout not only the synthesis process but also the following catalysis service for oxygen evolution reactions. Our findings demonstrate entropy-driven twin defect stabilization in metallic nanocatalysts, offering new strategies for catalytic structural engineering.

Authors

  • Yaqing Guo
    College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou, 325035, China.
  • Jiachi Hong
  • Qianwen Dong
    College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, Zhejiang, 310027, China.
  • Hanwen Liu
    Physics & Astronomy, University of British Columbia, Canada; International Collaboration on Repair Discoveries (ICORD), University of British Columbia, Canada.
  • Yunjie Mei
    State Key Laboratory of Materials Processing and Die & Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, 430074, China.
  • Junxin Yan
    Center for High Pressure Science (CHiPS), State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao, 066004, China.
  • Danpeng Cheng
  • Anmin Nie
    Center for High Pressure Science (CHiPS), State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao, 066004, China.
  • Qi Wang
    Biotherapeutics Discovery Research Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, 201203, China.
  • Penghui Li
    Tianjin Key Laboratory of Hazardous Waste Safety Disposal and Recycling Technology, School of Environmental Science and Safety Engineering, Tianjin University of Technology, Tianjin 300384, China. Electronic address: [email protected].
  • Yonggang Yao
    State Key Laboratory of Materials Processing and Die & Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, 430074, China.
  • Jun Lu
    School of Acupuncture-moxibustion and Tuina, Beijing University of Chinese Medicine, Beijing 100029, China.
  • Yifei Yuan
    College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou, 325035, China.

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