Electrocatalysis plays a pivotal role in the conversion and storage of renewable energy and the treatment of environmental pollution. In recent years, driven by the escalating demand for green technologies and sustainable energy solutions, the quest for high-efficiency catalysts has become a focal point of research. Multi-site catalytic materials, owing to their unique interaction mechanisms such as interfacial effects, structural confinement effects, and spillover effects of intermediates, have demonstrated superior catalytic activity compared to traditional single-site catalysts. Nevertheless, the interaction mechanisms among different components remain highly complex and have not been fully elucidated. The integration of experimental and theoretical approaches to systematically investigate the synergistic effects between active sites will provide a guide for designing highly efficient multi-site electrocatalysts.

The objective of this research topic is to publish the latest discoveries and high-quality research findings on multi-site electrocatalysts in various reactions, with a particular focus on the relationship between their synergistic effects and catalytic activity, selectivity, and stability in energy conversion (such as hydrogen production, oxygen catalysis, and carbon dioxide reduction, nitrogen/nitrate reduction), energy storage (such as lithium-air batteries and metal-air batteries), and environmental treatments (such hydrogenation reaction, dehalogenation). Furthermore, we will incorporate theoretical calculations (such as density functional theory) and machine learning predictions to deeply explore the relationship between the structure and performance of multi-sites electrocatalysts.

The topics will include, but are not limited to:
• Structural and performance optimization of multi-site catalysts
• Precise regulation of active sites and synergistic interaction mechanisms between active sites
• Innovative synthesis methods and characterization techniques for multi-site catalysts
• Theoretical models of multi-site synergistic effects and their experimental validation
• Application cases of multi-site catalysts in typical electrocatalytic reactions
• Computational methods (such as DFT and machine learning) in catalyst design

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Synergistic Effects of Multi-sites in Electrocatalysis