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| 负载型金属催化剂微观构效关系研究进展 |
| Research Progress on the Structure-Activity Relationship of Supported Metal Catalysts at the Microscopic Level |
| 投稿时间：2025-03-11 修订日期：2025-04-18 |
| DOI： |
| 中文关键词: 催化剂 纳米结构 计算机模拟 几何/电子效应 构效关系 |
| 英文关键词:Catalyst Nanostructure Computer simulation Geometric/electronic effect Structure-activity relationship |
| 基金项目: |
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| 中文摘要: |
| 对于负载型金属催化剂,当其金属团簇纳米结构发生变化时,催化剂表界面性质可能会发生急剧改变,这主要体现在其几何结构和电子性质的显著变化。鉴于“结构决定性质”的原则,要深入理解催化剂的催化机理,需精细剖析其表界面结构,探究不同表界面结构变化引发的几何/电子效应对催化活性的影响。这一过程对于设计高效负载型金属催化剂及其关键,但同时充满复杂性,要求研究人员能深度融合先进的表征技术与计算机模拟,以此展开深入探究。基于此,本研究系统综述了负载型金属催化剂表界面存在的几何/电子效应及相应表征方法,并结合个人前期研究及实际催化反应深入分析了该类催化剂的几何/电子效应与其催化活性之间的构效关系,且对未来这一领域的研究重点进行展望。 |
| 英文摘要: |
| When metal nanostructure undergo changes, their surface and interface properties may also undergo dramatic alterations, which are mainly manifested in changes in their geometric structures and electronic properties. Given the principle of "structure determining properties," to gain a deep understanding of the catalytic mechanism of nano-catalysts, it is necessary to conduct a detailed analysis of their surface and interface structures, explore the impact of geometric and electronic effects triggered by different surface and interface structures on reactions. This process is crucial for designing efficient supported metal catalysts, yet it is also fraught with complexities. It necessitates researchers to deeply integrate advanced characterization techniques with theoretical methods, serving as the foundation for conducting thorough investigations. This paper systematically reviews the geometric and electronic effects present in the surface and interface of supported metal catalysts, as well as the corresponding characterization and computer simulation. It also delves into the structure-activity relationships between the geometric/electronic effects of these catalysts and their catalytic performance, in conjunction with actual catalytic reactions,and the research focus in this field in the future is prospected. |
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