Experiment-Based Kinetic Monte Carlo Simulations: CO Oxidation over RuO2(110)

2011 ◽  
Vol 116 (1) ◽  
pp. 581-591 ◽  
Author(s):  
A. Farkas ◽  
F. Hess ◽  
H. Over
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Co Oxidation ◽  
Kinetic Monte Carlo ◽  
Kinetic Monte Carlo Simulations

First-Principles-Based Kinetic Monte Carlo Simulations of CO oxidation on catalytic Au(110) and Ag(110) surfaces

2021 ◽  
Author(s):  
José Luis Cagide Fajín ◽  
Ana S. Moura ◽  
Maria Natália Dias Soeiro Cordeiro
Keyword(s):  
Carbon Monoxide ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Co Oxidation ◽  
Chemical Reactions ◽  
First Principles ◽  
Kinetic Monte Carlo ◽  
The Core ◽  
Kinetic Monte Carlo Simulations ◽  
Essential Chemical

At the core of the development of more efficient and reliable Fuel Cells (FC) there are several essential chemical reactions, namely the carbon monoxide (CO) oxidation. This reaction is a...

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