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Antisite defect unleashes catalytic potential in high-entropy intermetallics for oxygen reduction reaction

Author

Listed:
  • Tao Chen

    (Peking University
    Central South University)

  • Xinkai Zhang

    (Beihang University)

  • Hangchao Wang

    (Peking University)

  • Chonglin Yuan

    (Peking University)

  • Yuxuan Zuo

    (Peking University)

  • Chuan Gao

    (Peking University)

  • Wukun Xiao

    (Peking University)

  • Yue Yu

    (Peking University)

  • Junfei Cai

    (Peking University)

  • Tie Luo

    (Peking University)

  • Yan Xiang

    (Beihang University)

  • Dingguo Xia

    (Peking University)

Abstract

Developing highly active, low-cost, and durable catalysts for efficient oxygen reduction reactions remain a challenge, hindering the commercial viability of proton exchange membrane fuel cells (PEMFCs). In this study, an ordered PtZnFeCoNiCr high-entropy intermetallic electrocatalyst with Pt antisite point defects (PD-PZFCNC-HEI) is synthesized. The electrocatalyst shows high mass activity of 4.12 A mgPt-1 toward the oxygen reduction reaction (ORR), which is 33 times that of the commercial Pt/C. PEMFC, assembled with PD-PZFCNC-HEI as the cathode (0.05 mgPt cm-2), exhibits a peak power density of 1.9 W cm-2 and a high mass activity of 3.0 A mgPt-1 at 0.9 V. Theoretical calculations combined with in situ X-ray absorption fine structure results reveal that defect engineering optimizes Pt’s electronic structure and activates non-noble metal site active centers, achieving exceptionally high ORR catalytic activity. This study provides guidance for the development of nanostructured ordered high-entropy intermetallic catalysts.

Suggested Citation

  • Tao Chen & Xinkai Zhang & Hangchao Wang & Chonglin Yuan & Yuxuan Zuo & Chuan Gao & Wukun Xiao & Yue Yu & Junfei Cai & Tie Luo & Yan Xiang & Dingguo Xia, 2025. "Antisite defect unleashes catalytic potential in high-entropy intermetallics for oxygen reduction reaction," Nature Communications, Nature, vol. 16(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-58679-5
    DOI: 10.1038/s41467-025-58679-5
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