Femtosecond Photodesorption of Small Molecules from Surfaces: A Theoretical Investigation from First Principles

Christiane P. Koch, Thorsten Klüner, Hans-Joachim Freund, and Ronnie Kosloff
Phys. Rev. Lett. 90, 117601 – Published 17 March 2003

Abstract

A microscopic model for the excitation and relaxation processes in photochemistry at surfaces is developed. Our study is based on ab initio calculations and the surrogate Hamiltonian method treating surface electron-hole pairs as a bath of two-level systems. Desorption probabilities and velocities in the experimentally observed range are obtained. The excited state lifetime is calculated, and a dependence of observables on pulse length is predicted.

  • Figure
  • Figure
  • Figure
  • Received 22 October 2002

DOI:https://doi.org/10.1103/PhysRevLett.90.117601

©2003 American Physical Society

Authors & Affiliations

Christiane P. Koch*, Thorsten Klüner, and Hans-Joachim Freund

  • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany

Ronnie Kosloff

  • Fritz Haber Research Center and Department of Physical Chemistry, The Hebrew University, Jerusalem 91904, Israel

  • *Email address: koch_c@fhi-berlin.mpg.de
  • Email address: kluener@fhi-berlin.mpg.de

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 90, Iss. 11 — 21 March 2003

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×