用石墨烯支持的单原子催化剂中的近距离效应,用于演变反应
Weijie Lin1, Wen-Jin Yin2, Bo Wen1
1School of Physics and Electronics, Henan University, Kaifeng 475004, China.
The Journal of chemical physics
|September 1, 2023
概括
单原子催化剂表现出邻近活性位影响反应性的近距离效应. 发现了Co,Rh和Ir的最佳间距,为催化剂性能提供了一种新的调方法.
科学领域:
- 催化剂是一种催化剂.
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
背景情况:
- 单原子催化剂的效率和原子利用取决于相邻活性位点之间的相互作用.
- 了解这些相互作用是设计高性能催化剂的关键.
研究的目的:
- 根据石墨烯中协调过渡金属中心之间的距离,研究演化反应 (HER) 的催化活性.
- 探索对单原子催化剂反应性的近距离效应.
主要方法:
- 密度函数理论 (DFT) 的计算被用来研究不同位置距离的 HER 活动.
- 为了了解近距离效应,分析了活性站点的电子特性和净电荷.
主要成果:
- 在Co系列单原子催化剂中观察到近距离效应,影响与位点间距之间的反应性.
- 确定Co,Rh和Ir活性位点的最佳距离分别约为0.8nm和2.8nm.
- 接近效应归因于活性位点的净电荷和促进通信的电子节点通道.
结论:
- 该研究表明,单原子催化剂的近距离效应受电子特性和站点间通信的支配.
- 设计了一个最佳的Fe-N2C2结构,证明了显著的近距离效应.
- 这项工作提出了一种简单而有效的策略,通过控制位置间距来调整单原子催化剂的反应性.
更多相关视频
08:40Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
3.6K
10:19Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation
Published on: July 18, 2017
12.0K
相关概念视频
Catalysis
27.0K
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.
27.0K
Reduction of Alkenes: Catalytic Hydrogenation
12.2K
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...
12.2K
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
3.3K
Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
3.3K
Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation
7.8K
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.
7.8K
Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation
4.6K
Unlike the easy catalytic hydrogenation of an alkene double bond, hydrogenation of a benzene double bond under similar reaction conditions does not take place easily. For example, in the reduction of stilbene, the benzene ring remains unaffected while the alkene bond gets reduced. Hydrogenation of an alkene double bond is exothermic and a favorable process. In contrast, to hydrogenate the first unsaturated bond of benzene, an energy input is needed; that is, the process is endothermic. This is...
4.6K
