Chinese Journal of Catalysis ›› 2026, Vol. 81: 37-68.DOI: 10.1016/S1872-2067(25)64880-7

• Review • Previous Articles     Next Articles

Composition regulation of iron-group transition metal chalcogenides for the oxygen electrocatalysis: Electronic structure and surface reconstruction

Haihong Zhonga, Qianqian Xub, Weiting Yanga, Nicolas Alonso-Vantec, Yongjun Fengb()   

  1. a School of Chemistry and Chemical Engineering, Collaborative Innovation Center of Ecological Civilization, Hainan University, Haikou 570228, Hainan, China
    b State Key Laboratory of Chemical Resource Engineering, Beijing Engineering Center for Hierarchical Catalysts, College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China
    c College of Smart Energy, Shanghai Jiao Tong University, Shanghai 200240, China
  • Received:2025-07-28 Accepted:2025-09-05 Online:2026-02-18 Published:2025-12-26
  • Contact: *E-mail: yjfeng@mail.buct.edu.cn (Y. Feng).
  • About author:Dr. Yongjun Feng, born in January 1976, is a full professor and Ph.D. supervisor in Beijing University of Chemical Technology. In 2022, he was recognized by the National Major Talent Project and the Shandong Mount Taishan Industrial Leading Talent Project. He currently holds the position of Director at the Talent Introduction Office of Beijing University of Chemical Technology, and serves in various esteemed roles such as a member of the International Symposium on Intercalation Compounds Committee (ISIC), a Senior Member of the Chinese Chemical Society, Vice Chairman of the Expert Committee of the China Renewable Resources Industry Technology Innovation Strategy Alliance, and a member of the Anhui Province New Materials Industry Development Strategy Advisory Committee. In January 2007, he earned his Ph.D. in Chemistry from Blaise Pascal University in France, and subsequently pursued postdoctoral research at the University of Poitiers in France. In 2011, he joined the State Key Laboratory of Chemical Resources Engineering (CRE), focusing on the fundamental, applied, and engineering research of intercalated structure functional materials, porous carriers and adsorption materials, and non-noble metal electrocatalytic materials. He has led more than 30 projects entrusted by international, national and enterprise entities, and built 8 sets of industrial plants with a scale of more than 100 tons per year, including 2 under his direct leadership. He has published more than 120 papers in leading international journals as the first author or corresponding author, filed more than 60 national invention patents, of which 46 were granted; and served on the editorial boards of journals including “Applied Clay Science” and “Fine Chemicals.” Multiple patented technologies have been successfully commercialized.
  • Supported by:
    National Natural Science Foundation of China(22368020);Research Foundation for Talented Scholars of Hainan University((KYQDZR)23055)

Abstract:

Iron-group transition metal chalcogenides (IGTMCs) have emerged as promising electrocatalysts due to their tailorable electronic structures through composition engineering. This review summarizes the recent advancements in multi-component regulatory strategies employed in advanced IGTMC electrocatalysts, including anion substitution, cation doping, and the incorporation of zero-valent elements. Particular emphasis is placed on the roles of secondary and tertiary doping configurations, and chalcogen modulation in enhancing the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) of IGTMC electrocatalysts. Thus, regulating the electronic structure and optimizing the adsorption strengths on this family of materials are strategies to boost catalytic kinetics. Notably, dynamic surface reconstruction (e.g., oxidation) of IGTMC electrocatalysts during the OER has recently attracted significant attention. Advanced in-situ/operando characterization insights into reconstruction phenomenon of IGTMC electrocatalysts for OER process are critically analyzed. Finally, the challenges and prospects of IGTMC electrocatalysts for ORR/OER electrocatalysis are outlined.

Key words: Iron-group transition metal, chalcogenides, Oxygen evolution reaction, Oxygen reduction reaction, Electronic structure, Surface reconstruction