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Updated: Dec 29, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Copper-based homogeneous and heterogeneous catalysts for electrochemical water oxidation
Husileng Lee1, Xiujuan Wu1, Licheng Sun2
1State Key Laboratory of Fine Chemicals, DUT-KTH Joint Education and Research Center on Molecular Devices, Dalian University of Technology (DUT), 116024 Dalian, China. wuxiujuan2003@dlut.edu.cn.
Abstract:
Water oxidation is currently believed to be the bottleneck in the field of electrochemical water splitting and artificial photosynthesis. Enormous efforts have been devoted toward the exploration of water oxidation catalysts (WOCs), including homogeneous and heterogeneous catalysts. Recently, Cu-based WOCs have been widely developed because of their high abundance, low cost, and biological relevance. However, to the best of our knowledge, no review has been made so far on such types of catalysts. Thus, we have summarized the recent progress made in the development of homogeneous and heterogeneous Cu-based WOCs for electrochemical catalysis. Furthermore, the evaluations of catalytic activity, stability, and mechanism of these catalysts are carefully concluded and highlighted. We believe that this review can summarize the current progress in the field of Cu-based electrochemical WOCs and help in the design of more efficient and stable WOCs.
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