在模型单原子催化剂上解二氧化碳
Jan Hulva1, Matthias Meier1,2, Roland Bliem1
1Institute of Applied Physics, TU Wien, Vienna, Austria.
概括
在氧化铁支上研究单原子催化剂显示,金属-CO键强度有很大差异. 当地环境和电荷转移效应影响催化剂的稳定性和反应性,影响吸附能.
科学领域:
- 表面科学
- 催化剂
- 材料科学
背景情况:
- 了解单原子催化剂 (SAC) 的局部环境对于预测稳定性和反应性至关重要.
- 金属支相互作用显著影响催化性能.
研究的目的:
- 在模型Fe3O4 ((001) 中研究各种单金属原子 (Cu,Ag,Au,Ni,Pd,Pt,Rh,Ir) 的吸附特性.
- 阐明当地的环境和电荷转移在改变金属-CO相互作用中的作用.
主要方法:
- 单个金属原子在室温下沉积在Fe3O4上.
- 使用表面科学技术研究二氧化碳吸附.
- 分析电荷转移效应和d状态的变化.
主要成果:
- 单个金属位点的二氧化碳吸附强度不同于散装金属和集群.
- 电荷转移到Fe3O4支中改变了金属的d状态和金属-CO键强度.
- 由CO引起的结构扭曲降低了吸附能量,通过协调化学可以预测放松.
结论:
- 当地协调环境和Fe3O4的电子相互作用对SAC的行为产生了重大影响.
- 预测催化活性需要考虑电子结构和CO诱导的几何放松.
更多相关视频
10:57Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
18.7K
11:38In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
Published on: February 1, 2020
16.5K
相关概念视频
Catalysis
29.1K
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.
29.1K
Analyte Adsorption and Distribution
1.8K
In certain chromatographic separations, solutes transfer between the mobile phase and the stationary phase via sorption, which typically refers to the process of adsorption. For many chromatographic systems, the sorption process often depends on the polarity of the compounds—an expression of the overall dipole moment within the molecule. During the separation process, there is competition between the solute and solvent for adsorption to the stationary phase. Highly polar compounds and...
1.8K
Introduction to Mechanisms of Enzyme Catalysis
10.0K
For many years, scientists thought that enzyme-substrate binding took place in a simple "lock-and-key" fashion. This model stated that the enzyme and substrate fit together perfectly in one instantaneous step. However, current research supports a more refined view scientists call induced fit. The induced-fit model expands upon the lock-and-key model by describing a more dynamic interaction between enzyme and substrate. As the enzyme and substrate come together, their interaction causes...
10.0K
Induced-fit Model
86.7K
Most chemical reactions in cells require enzymes—biological catalysts that speed up the reaction without being consumed or permanently changed. They reduce the activation energy needed to convert the reactants into products. Enzymes are proteins, that usually work by binding to a substrate—a reactant molecule that they act upon.
Enzymes exhibit substrate specificity, meaning that they can only bind to certain substrates. This is mainly determined by the shape and chemical...
Enzymes exhibit substrate specificity, meaning that they can only bind to certain substrates. This is mainly determined by the shape and chemical...
86.7K
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
3.7K
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...
3.7K
Cofactors and Coenzymes
12.3K
Enzymes are proteins made of amino acids. The functional group of each constituent amino acid catalyzes a wide variety of chemical reactions via ionic interactions or acid-base reactions. However, amino acids cannot catalyze oxidation-reduction and group transfer reactions and need to be aided by non-protein components called cofactors. Cofactors are also referred to as the chemical teeth of an enzyme.
Cofactors can be metallic ions or organic molecules called coenzymes. These types of helper...
Cofactors can be metallic ions or organic molecules called coenzymes. These types of helper...
12.3K
