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A Simple Method for the Size Controlled Synthesis of Stable Oligomeric Clusters of Gold Nanoparticles under Ambient Conditions
Published on: February 5, 2016
Critical size for O(2) dissociation by au nanoparticles
Alberto Roldán1, Silvia González, Josep Manel Ricart
1Departament de Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, C/Martí i Franquès 1, 08028 Barcelona, Spain.
Summary
Low-coordination gold atoms alone do not dissociate oxygen molecules. A critical size and common pathway exist for oxygen dissociation on gold nanoparticles, with strong adsorption being necessary but insufficient.
Area of Science:
- Surface Science
- Computational Chemistry
- Materials Science
Background:
- Understanding oxygen dissociation on gold nanoparticles is crucial for catalysis.
- Low-coordinated atoms are often considered active sites for chemical reactions.
Purpose of the Study:
- To investigate the role of low-coordination gold atoms in oxygen dissociation.
- To identify the mechanism and critical factors governing O(2) dissociation on gold nanoparticles.
Main Methods:
- Density Functional Theory (DFT) calculations were employed.
- Calculations were performed on a series of gold nanoparticles and extended gold systems with low-coordinated sites.
Main Results:
- The mere presence of low-coordination gold atoms is insufficient for O(2) dissociation.
- Strong adsorption of molecular oxygen is a necessary but not sufficient condition.
- A common dissociation pathway and a critical nanoparticle size for O(2) dissociation were identified.
Conclusions:
- Oxygen dissociation on gold nanoparticles is a complex process beyond just low-coordination sites.
- The findings highlight the importance of nanoparticle size and a specific reaction pathway for efficient O(2) dissociation.
