Structural Engineering of Metal Sites for Catalysis
DOI:
https://doi.org/10.71222/9z5d7d54Keywords:
single-atom catalysts, metal-support interactions, coordination engineering, heterogeneous catalysis, structural design, catalytic sitesAbstract
Structural engineering of metal sites has emerged as a pivotal strategy for advancing heterogeneous catalysis, enabling unprecedented control over catalytic activity, selectivity, and stability. The precise manipulation of metal coordination environments, metal-support interactions, and spatial arrangements of active sites provides opportunities to tailor catalytic properties for specific reactions. Single-atom catalysts represent a frontier in this field, offering maximum atomic efficiency and unique electronic structures that differ fundamentally from nanoparticles and bulk materials. The coordination geometry, oxidation state, and local environment of isolated metal atoms critically determine their catalytic performance in reactions ranging from electrocatalytic carbon dioxide reduction to hydrogen peroxide synthesis. Dual-metal site architectures introduce additional complexity and synergy, enabling tandem catalytic processes and cooperative substrate activation. This paper examines the principles and strategies of structural engineering for metal catalytic sites, exploring the relationships between atomic-scale structure and catalytic function. Recent advances in synthesis methods, characterization techniques, and theoretical understanding have enabled rational design of metal sites with optimized properties. The integration of experimental observations with computational predictions continues to drive progress in developing next-generation catalysts for energy conversion, environmental remediation, and chemical synthesis applications.
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Copyright (c) 2025 Jian Liu, Anna Rodriguez, Kenji Yamamoto (Author)
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