素触发的结构缺陷在Au44 同类物增强电催化CO2 减少
Shengli Zhuang1,2, Dong Chen3, Wai-Pan Ng1,4
1Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, P. R. China.
Angewandte Chemie (International ed. in English)
|June 16, 2023
概括
将结构缺陷引入金纳米集群 (Au44) 增强了它们的催化活性. 有缺陷的Au44纳米集群与混合带在减少二氧化碳方面表现出卓越的性能,降低了关键反应步骤的能量障碍.
科学领域:
- 材料科学 材料科学 材料科学
- 催化剂是一种催化剂.
- 纳米技术纳米技术
背景情况:
- 原子级结构缺陷对于调整金属纳米集群属性至关重要.
- 缺陷会产生高度反应的中心,使得能够详细研究催化反应路径.
研究的目的:
- 为了合成原子精确的有缺陷的金纳米集群.
- 调查结构缺陷对催化性能的影响.
主要方法:
- 在Au44 (TBBT) 28纳米集群中替代酸盐联体的酸盐联体.
- 使用公式Au44(PPh3) n(TBBT) 28-2n (n=0-2) 的混合联体纳米团同类的表征.
- 密度函数理论 (DFT) 计算以了解反应机制.
主要成果:
- 成功地将一个或两个Au3三角单元引入Au44内核,从而创建有缺陷的纳米集群.
- 识别了第一批混合干Au44纳米团同类物.
- Au44 ((PPh3) ((TBBT) 26 具有缺陷的纳米集群表现出增强的电催化二氧化碳减少到二氧化碳.
结论:
- 缺陷的黄金纳米集群可以通过配体替代精确地设计.
- 活动部位附近存在的缺陷显著降低了减少二氧化碳的能源障碍.
- 这些发现为设计用于二氧化碳转换的先进催化剂开辟了道路.
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