催化作用
密度泛函理论
铂族
铂金
材料科学
纳米技术
表征(材料科学)
金属
化学物理
耐久性
化学工程
化学稳定性
群(周期表)
化学
电荷(物理)
电子结构
燃料电池
多相催化
化学过程
分子动力学
工作(物理)
理论(学习稳定性)
重组
反应机理
贵金属
钯
作者
Aixian Shan,Yuqing Xu,Wen Zhang,Guangxin Ren,Bo Yuan,R. R. Wang
标识
DOI:10.1021/acscatal.5c09204
摘要
Constructing heterostructured catalysts has emerged as an effective strategy to enhance the activity and durability of platinum group metal (PGM) catalysts. At heterointerfaces, strong metal–support interactions (SMSI) can profoundly regulate catalytic behavior by restructuring metal active sites, modulating interfacial charge transfer, and altering the local chemical environment, thereby influencing reaction pathways and kinetics. Despite extensive progress, a unified framework for interpreting the diverse manifestations of SMSI and correlating them with catalytic performance remains lacking. In this review, we introduce the concept of SMSI descriptors, which translate coupled interfacial structural and electronic evolutions into quantifiable parameters that enable cross-system comparison and structure–performance analysis. We first trace the historical development and mechanistic understanding of SMSI, followed by a systematic discussion of recent advances in constructing and regulating PGM-based heterostructured catalysts. Particular emphasis is placed on how in situ/operando characterization techniques, together with density functional theory (DFT) and emerging machine-learning approaches, reveal the dynamic evolution of SMSI under working conditions. Finally, we outline descriptor-guided design principles for engineering next-generation catalysts with improved activity, selectivity, and stability for energy and environmental applications.
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