Effects of adsorbate lateral repulsion on desorption and diffusion kinetics studied by Monte Carlo simulations

1996 ◽  
Vol 104 (14) ◽  
pp. 5674-5682 ◽  
Author(s):  
I. Farbman ◽  
M. Asscher ◽  
A. Ben‐Shaul
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Diffusion Kinetics ◽  
And Diffusion

Quantitative Analysis of the Evolution of Surface Growth Morphology in LEEM

1998 ◽  
Vol 05 (06) ◽  
pp. 1151-1158 ◽  
Author(s):  
J. B. Hannon ◽  
G. L. Kellogg ◽  
M. C. Bartelt ◽  
N. C. Bartelt
Keyword(s):  
Electron Microscopy ◽  
Monte Carlo ◽  
Quantitative Analysis ◽  
Diffusion Equation ◽  
Monte Carlo Simulations ◽  
Low Energy ◽  
Growth Morphology ◽  
Equation Analysis ◽  
Low Energy Electron ◽  
And Diffusion

We describe Monte Carlo simulations and diffusion equation analysis which are useful in deriving kinetic parameters from low energy electron microscopy experiments. An analysis of the etching of the Si(001) surface with molecular oxygen is made, illustrating the power of these techniques.

OSCILLATIONS IN CATALYTIC REACTIONS: CARBON MODEL WITH ADSORBATE–ADSORBATE LATERAL INTERACTIONS

2001 ◽  
Vol 08 (01n02) ◽  
pp. 51-59 ◽  
Author(s):  
V. P. ZHDANOV
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Co Oxidation ◽  
Carbon Deposition ◽  
Catalyst Surface ◽  
Catalytic Reactions ◽  
Lateral Interactions ◽  
Carbon Removal ◽  
Kinetic Oscillations ◽  
And Diffusion

We present Monte Carlo simulations of kinetic oscillations in CO oxidation on Pt in the framework of the model including carbon deposition on and removal from the catalyst surface. Some of the elementary reaction steps (such as carbon removal and diffusion) are considered to be dependent on adsorbate–adsorbate lateral interactions. The results obtained indicate that the lateral interactions may play a key role in kinetic oscillations. In particular, the interactions may result in the appearance of oscillations and also in their suppression. The former takes place if the interactions form a feedback between the high and low reactive states of the bistable catalytic cycle. The latter may be connected, for example, with the formation of carbon islands on the surface.

Variational and diffusion Monte Carlo simulations of a hydrogen molecular ion in a spherical box

2019 ◽  
Vol 28 (5) ◽  
pp. 056401
Author(s):  
Xuehui Xiao ◽  
Kuo Bao ◽  
Youchun Wang ◽  
Hui Xie ◽  
Defang Duan ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Diffusion Monte Carlo ◽  
Hydrogen Molecular Ion ◽  
Molecular Ion ◽  
And Diffusion

Vacancy clustering and diffusion in germanium using kinetic lattice Monte Carlo simulations

2009 ◽  
Vol 35 (3) ◽  
pp. 234-240 ◽  
Author(s):  
J.W. Kang ◽  
Y.G. Choi ◽  
J.H. Lee ◽  
S.H. Lee ◽  
H.J. Oh
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Lattice Monte Carlo ◽  
Kinetic Lattice Monte Carlo ◽  
And Diffusion ◽  
Kinetic Lattice
Sign in / Sign up

Export Citation Format

Share Document