Unveiling how reconstructed molybdenum oxyanions enhances the alkaline oxygen evolution reaction

• Published in: Chemical engineering journal (Lausanne, Switzerland : 1996) Vol. 518; p. 164835
• Main Authors: Wang, Yize, Han, Jie, Bao, Weiwei, Ai, Taotao, Zhang, Junjun, Deng, Zhifeng, Jiang, Peng
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.08.2025
• Subjects: Evolution mechanism; In situ engineering; Interface engineering; Molybdate anions; Oxygen evolution reaction; In situ engineering; Interface engineering; Oxygen evolution reaction; Evolution mechanism; Molybdate anions
• ISSN: 1385-8947
• DOI: 10.1016/j.cej.2025.164835

Molybdenum-based catalysts represent a class of electrocatalysts with good catalytic activity, and they have a promising application in alkaline oxygen evolution reaction (OER). It is worth noting that molybdenum-based catalysts are subject to dissolution reconstruction during the OER process, and the role of molybdate leached from the pre-catalyst is often neglected in this process. Hence, in this work, in situ engineering and theoretical calculations were employed to explore the evolution mechanism of molybdenum electrooxidation and leaching and its effect on the catalytic performance during the OER process. The findings indicated that the dissolution-reconstruction-adsorption behavior accelerated the self-reconstruction of molybdenum. Furthermore, the dynamic adsorption of MoO42− and the reconstructed formed Mo2O72− on the surface of the active sites played a significant role in the improvement of the catalyst's activity, stability, mass diffusion capability and reduce the energy barriers of catalysts. The findings of this work provide a distinctive insight into the species evolution of catalytic materials and the mechanism of enhancing catalytic activity during OER processes. Electrooxidation, leaching and re-absorption of molybdenum oxyanions in core-shell MoOx@NiFe-LDH contribute significantly to the enhancement of OER activity. [Display omitted] •Using MoOx@NiFe-LDH as the research model, in situ Raman engineering revealed the evolution mechanism of catalysts during OER processes.•Electrooxidation, leaching, reconstruction and re-adsorption behavior of molybdenum greatly enhanced the catalytic activity of OER.•DFT calculations further confirmed the promoting effect of adsorbed molybdate on the enhancement of OER activity.