在氧化物支上的单原子Pt的高温反应诱导的局部结构动态演变
Dongxu Yan1,2, Yanxia Gao1,2, Ming-Yu Qi3
1Xiamen Key Laboratory of Materials for Gaseous Pollutant Control, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021, China.
Precision chemistry
|August 29, 2025
概括
这项研究揭示了单个原子 (Pt1) 在高温氧化过程中如何激活. 一个进化的Pt1-氧空位组合增强了催化剂活性,为设计高效的单原子催化剂 (SAC) 提供了洞察力.
科学领域:
- 不同质的催化
- 材料科学
- 表面化学
背景情况:
- 在反应条件下了解单原子催化剂 (SAC) 的活性位点演变对于设计高效催化剂至关重要.
- 高温反应往往导致催化剂结构的动态变化,影响性能.
- 单原子 (Pt1) 对各种催化应用具有前景,但它们在恶劣条件下的行为需要详细的调查.
研究的目的:
- 在高温光氧化过程中研究Pt单个原子 (Pt1) 的现场激活和动态结构演变.
- 阐明负责增强催化活性的活性位点的形成机制.
- 提供分子层面的洞察力,用于设计强大的SAC.
主要方法:
- 在高温反应中对Pt单个原子 (Pt1) 的现场表征.
- 理论计算 (例如密度功能理论) 了解反应机制和活性位点的形成.
- 在反应条件下分析局部协调结构的演变.
主要成果:
- 该研究表明,在高温氧化过程中,Pt1-氧空位 (Pt1-OV) 组合在现场形成为关键活性部位.
- 理论计算证实了格子氧和与甲分离的H形成了格子基,从而启动了Pt1-OV的形成.
- 从 Pt1 和相邻的 Mn 到 O-O 键的电荷转移促进了氧气解离,促进了催化活性.
结论:
- 在现场演化的Pt1-OV组合是高温氧化的一个高效和稳定的活性部位.
- 这项工作为SACs的反应诱导结构演变提供了关键的分子层面的理解.
- 这些发现为设计能够在恶劣反应条件下运行的高性能SAC提供了宝贵的指导.
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