scholarly journals Predictive Beyond-Mean-Field Rate Equations for Multisite Lattice–Gas Models of Catalytic Surface Reactions: CO Oxidation on Pd(100)

2016 ◽  
Vol 120 (50) ◽  
pp. 28639-28653 ◽  
Author(s):  
Da-Jiang Liu ◽  
Federico Zahariev ◽  
Mark S. Gordon ◽  
James W. Evans
Keyword(s):  
Co Oxidation ◽  
Lattice Gas ◽  
Surface Reactions ◽  
Mean Field ◽  
Rate Equations ◽  
Catalytic Surface ◽  
Lattice Gas Models ◽  
Catalytic Surface Reactions

Spatial Correlations in Growing Films

2000 ◽  
Vol 619 ◽  
Author(s):  
M.C. Bartelt
Keyword(s):  
Size Distribution ◽  
Lattice Gas ◽  
Mean Field ◽  
Film Deposition ◽  
Nucleation Theory ◽  
Spatial Correlations ◽  
Island Size ◽  
Pit Formation ◽  
Free Region ◽  
Lattice Gas Models

ABSTRACTDetailed analyses of non-equilibrium lattice-gas models of island nucleation and growth during film deposition (or etching) have been invaluable in elucidating basic issues in nucleation theory, deviations from mean-field predictions, and experimental observations. Particularly interesting and useful is the behavior of spatial correlations in the adlayer which develop during island (or pit) formation. In particular, a strong depletion in the population of island pairs at separations smaller than the average follows from depletion in the density of diffusing adspecies near islands. This feature delays percolation of clusters of coalesced islands. Another recently discovered and more subtle feature is a strong correlation between the width of the island-free region surrounding an island and the size and growth rate of that island. This direct correlation between island sizes and separations controls the shape of the island size distribution. If incorporated into rate-equation descriptions, it recovers the exact form of the scaling function for the island size distribution.

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