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Updated: Jun 9, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Single-Atom Catalysts in Heterogeneous Electro-Fenton for Water Treatment: Design, Stability, and Applications
Zehai Xu1, Lushen Xu1, Qin Meng2
1Institute of Oceanic and Environmental Chemical Engineering Center for Membrane and Water Science & Technology Collaborative Innovation Center of Membrane Separation and Water Treatment of Zhejiang, Province Zhejiang University of Technology, Hangzhou, P. R. China.
Abstract:
Electro-Fenton (EF) is an important advanced oxidation technology because it enables efficient and controllable in situ generation of highly reactive radicals for the effective degradation of refractory organic pollutants in wastewater. Single-atom catalysts (SACs) have emerged as a frontier class of materials for heterogeneous EF processes due to their unique atomic dispersion, maximized metal utilization, and precisely tunable electronic structures. Building on recent progresses in SACs and their catalytic behavior in EF systems, this review centers on strategies for improving SAC performance through rational component engineering and enhanced stability. Key challenges associated with SAC-based EF processes are analyzed, together with the essential requirements for their practical implementation. Design approaches are summarized for tailoring coordination environments in SACs using carbon materials, carbon nitride, and metal-organic frameworks (MOFs) as supports, enabling the construction of both monometallic and bimetallic SACs. The motivation in stabilizing SACs through high-coordination configurations and spatial confinement effects is also discussed. In addition, the applications of SACs in EF processes are summarized, including antibiotic removal, textile dyeing wastewater treatment, and the degradation of endocrine-disrupting compounds. Finally, current limitations and the future research focus on practical deployment of SACs in EF technologies are outlined.
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