在反应气体压力下重组催化剂的原子尺度机制
Vaidish Sumaria1, Luan Nguyen2, Franklin Feng Tao2
1Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, California 90094, United States.
Journal of the American Chemical Society
|December 22, 2022
概括
在一氧化碳 (CO) 压力下理解催化剂的重组对于化学转化至关重要. 这项研究揭示了二氧化碳是如何触发原子重组的,
科学领域:
- 不同质的催化
- 表面科学
- 材料科学
背景情况:
- 在反应条件下,催化剂活性位点会动态演变.
- 了解原子级重组对于预测催化剂性能至关重要.
- (Pt) 催化剂对于许多化学转化至关重要.
研究的目的:
- 在一氧化碳 (CO) 压力下发现Pt催化剂重组的原子尺度机制.
- 在反应条件下研究催化剂活性位点的动态演变.
主要方法:
- 在现场依赖时间的扫描道显微镜 (STM) 观测.
- 机器学习加速了第一原则的原子模拟.
- 探索成千上万种CO覆盖催化剂的配置.
主要成果:
- 在Pt阶段边缘的高CO覆盖率会导致原子突起的形成.
- 低协调度的Pt原子从步骤边缘分离出来, 在露台上形成子纳米岛.
- 在新形成的岛屿上稳定低协调的地点.
结论:
- 一个详细的原子尺度机制Pt由CO引起的重组被阐明.
- 机器学习潜力对于模拟复杂的催化系统至关重要.
- 这种方法可以研究先进的金属纳米粒子催化剂的结构动态.
相关概念视频
Catalysis
27.2K
The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
27.2K
Reduction of Alkenes: Catalytic Hydrogenation
12.3K
Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
12.3K
Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation
7.9K
Introduction
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.
7.9K


