Bimetallic Pd based catalysts have received tremendous research interests for many important reactions in fields of important petrochemical industrial process, fine chemical synthesis, environment protection, renewable energy conversion, as their specific activity and selectivity are usually higher than that of pure Pd. With a well-defined composition, Pd–M bimetallic catalysts are also the ideal platform for the investigation of the reaction mechanism, which provides a bridge for the construction of high-performance catalyst. This Review intends to give an overview of the recent advances on the design principles of bimetallic Pd based catalyst in term of active sites’ structure and number, and provide insights into the synergy effects between Pd and M as well as the supports to understand the elementary mechanisms of reactions. The Review starts with how the intrinsic activity and selectivity of different structures (alloy, core–shell, and Pd/metal compound interface) would be controlled by ligand effect, strain effect, ensemble effect, and support effect; followed by a discussion of the structure determined mechanism investigation in reactions of selective hydrogenation, CO oxidation, methane combustion, electrocatalytic energy conversion (HER, ORR, MOR), CO₂ reduction, H₂ production, biomass upgrading, and fine chemical synthesis; and then introduces the strategies for how to maximize the active sites’ number in a finite metal load. Finally, the operando insight into the active sites’ reconstruction under reaction condition will be discussed. On the basis of this Review, the experience and generic rules acquired from the design thoughts, synthetic disciplines, and the functionalities of bimetallic Pd based catalysts in a given reaction could have an important referential significance for revealing catalytic mechanisms at the molecular scales as well as building up other high-efficiency bimetallic catalysts.

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双金属钯基催化剂的合理设计及其高级催化作用的最新进展

由于双金属钯基催化剂的比活度和选择性通常高于纯钯，因此在重要的石油化学工业过程，精细化学合成，环境保护，可再生能源转化等领域中，许多重要反应都受到了巨大的研究兴趣。Pd-M双金属催化剂具有明确的组成，也是研究反应机理的理想平台，它为构建高性能催化剂提供了桥梁。这篇综述旨在从活性位点的结构和数量方面概述双金属钯基催化剂的设计原理的最新进展，并提供对钯和镁之间协同作用的见解，以及对理解基本元素的支持。反应机制。综述从配体效应，应变效应，整体效应和支持效应如何控制不同结构（合金，核-壳和钯/金属化合物界面）的固有活性和选择性开始；随后讨论了选择性加氢，一氧化碳，甲烷燃烧，电催化能转化（HER，ORR，MOR），一氧化碳的反应中由结构决定的机理研究₂还原，H ₂产生，生物质提升和精细化学合成；然后介绍了如何在有限的金属负载下最大化活动站点数量的策略。最后，将讨论在反应条件下对活性位点重构的操作见解。在本综述的基础上，从设计思想，合成学科以及双金属钯基催化剂在给定反应中的功能获得的经验和通用规则，对于揭示分子尺度上的催化机理以及具有重要的参考意义。建立其他高效双金属催化剂。