An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions

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...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Jansen, A.P.J (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2012.
Edición:1st ed. 2012.
Colección:Lecture Notes in Physics, 856
Temas:
Surfaces (Physics).
Surfaces (Technology).
Thin films.
Chemistry, Physical and theoretical.
Mathematical physics.
Surface and Interface and Thin Film.
Surfaces, Interfaces and Thin Film.
Theoretical Chemistry.
Theoretical, Mathematical and Computational Physics.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • 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.

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