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相关概念视频

Catalysis02:50

Catalysis

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.
Heterogeneous Catalysis01:22

Heterogeneous Catalysis

Heterogeneous catalysis involves a catalyst in a different phase from the reactants. It is a process where the catalyst and the reactants are in distinct phases, typically solid and gas or liquid.Most heterogeneous catalysts are metals, metal oxides, or acids. The list includes transition metals like iron (Fe), cobalt (Co), nickel (Ni), palladium (Pd), platinum (Pt), chromium (Cr), manganese (Mn), tungsten (W), silver (Ag), and copper (Cu). These metals possess partially vacant d orbitals that...

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相关实验视频

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Synthesis, Characterization, and Functionalization of Hybrid Au/CdS and Au/ZnS Core/Shell Nanoparticles
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在等离子体催化中溶剂诱导的局部环境效应.

Tien Le1, Bin Wang1

  • 1School of Sustainable Chemical, Biological and Materials Engineering, University of Oklahoma Norman OK 73019 USA wang_cbme@ou.edu.

Nanoscale advances
|October 26, 2023
PubMed
概括

溶剂通过改变界面电荷转移来影响等离子体催化. 溶剂和反应剂之间的键,如氨,移动分子轨道,调整催化活性和能量传递途径.

科学领域:

  • 表面科学是一门学科.
  • 催化剂是一种催化剂.
  • 计算化学计算化学

背景情况:

  • 溶剂影响金属纳米粒子表面等离子体共振.
  • 溶剂在塑催化中操纵界面电荷和能量转移中的作用尚未得到充分研究.

研究的目的:

  • 在等离子体催化过程中研究性溶剂对界面电荷转移的影响.
  • 探索使用溶剂对能量转移通路的操纵,使用在化铜表面上的氨分解作为模型系统.

主要方法:

  • 密度函数理论 (DFT) 的计算.
  • 德尔塔自相一致场 (SCF) 的计算.
  • 计算金属反应剂电子过渡的激发能.

主要成果:

  • 水和氨之间的键转移了与金属费米水平相对的分子边界轨道,改变了电荷转移.
  • 与甲醇和观察到类似的效果,表明溶剂的基本性会影响激发能.
  • 更强的溶剂基本性导致激发能量的更显著变化.

结论:

  • 溶剂可以战略性地用于调整等离子体催化中的界面电荷和能量转移.
  • 了解溶剂-反应剂相互作用是控制催化路径和优化光子能量利用的关键.

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  • 这项研究为设计溶剂介导等离子体催化系统提供了一个计算框架.