Phys. Rev. B 69, 035414 (2004) [6 pages]Monte Carlo simulations of temperature-programmed desorption spectraReceived 5 August 2003; published 29 January 2004 We show how to obtain good quantitative data on the energetics of surface reactions by fitting results of dynamic Monte Carlo simulations to results of kinetic experiments. In particular, we can obtain numerical values for various lateral interactions by simulating temperature-programmed desorption spectra and fitting the simulated spectra to the experimental ones using evolution strategies. We illustrate the procedure by determining nearest-, next-nearest-, and next-next-nearest-neighbor interactions for CO on Rh(100). © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.69.035414
DOI:
10.1103/PhysRevB.69.035414
PACS:
68.43.Fg, 68.43.Vx, 82.20.Wt
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.