scholarly journals Effect of Surface Nanostructure on Temperature Programmed Reaction Spectroscopy: First-Principles Kinetic Monte Carlo Simulations of CO Oxidation atRuO2(110)

2008 ◽  
Vol 100 (1) ◽  
Author(s):  
Michael Rieger ◽  
Jutta Rogal ◽  
Karsten Reuter
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
First Principles ◽  
Kinetic Monte Carlo ◽  
Surface Nanostructure ◽  
Kinetic Monte Carlo Simulations ◽  
Temperature Programmed ◽  
Temperature Programmed Reaction Spectroscopy ◽  
Temperature Programmed Reaction ◽  
Effect Of Surface

scholarly journals Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations

2009 ◽  
Vol 603 (10-12) ◽  
pp. 1724-1730 ◽  
Author(s):  
Hakim Meskine ◽  
Sebastian Matera ◽  
Matthias Scheffler ◽  
Karsten Reuter ◽  
Horia Metiu
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Rate Control ◽  
First Principles ◽  
Kinetic Monte Carlo ◽  
Kinetic Monte Carlo Simulations
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