An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions

• Main Author: Jansen, A.P.J (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2012.
• Series: Lecture Notes in Physics, 856
• Subjects: Physics.; Chemistry, Physical and theoretical.; Surfaces (Physics).; Interfaces (Physical sciences).; Thin films.; Materials > Surfaces.; Surface and Interface Science, Thin Films.; Surfaces and Interfaces, Thin Films.; Theoretical and Computational Chemistry.; Numerical and Computational Physics.

Kinetic Monte Carlo (kMC) simulations still represent a quite new area of research, with a rapidly growing number of publications. Broadly speaking, kMC can be applied to any system describable as a set of minima of a potential-energy surface, the evolution of which will then be regarded as hops fro...

Table of Contents:

• Introduction
• Stochastic Model for the Description of Surface Reaction Systems
• Kinetic Monte Carlo Algorithms
• How to Get Kinetic Parameters
• Modeling Surface Reactions I
• Modeling Surface Reactions II
• Examples
• New Developments
• Glossary
• Index.