Adsorption and diffusion dynamics of atomic and molecular oxygen on reconstructed Cu(100)

S. Jaatinen, J. Blomqvist, P. Salo, A. Puisto, M. Alatalo, M. Hirsimäki, M. Ahonen, and M. Valden
Phys. Rev. B 75, 075402 – Published 2 February 2007

Abstract

Adsorption dynamics of O2 on Cu(100) and on reconstructed Cu(100)(22×2)R45°O at 300 and 553K have been investigated by employing a supersonic molecular-beam surface-scattering technique. Experimental results suggest that an activated direct adsorption channel is operative on the clean Cu(100), whereas the adsorption of O2 on the reconstructed Cu(100) is mediated either by a precursor state or by steering effects. First-principles molecular-dynamics simulations and potential-energy surface calculations show that the nature of the adsorption dynamics of O2 is different between the clean and reconstructed Cu(100) surfaces. The O2 molecule is likely to diffuse away from the reconstructed area or to completely desorb from the surface, while in the case of the clean Cu(100) surface, the adsorption occurs through a direct dissociative trajectory. We also find that in the case of the reconstructed surface, the steering occurs higher over the surface and that the recoil effect does not modify the surface as much as in the case of the clean surface. Moreover, the mobility of O and Cu adatoms on the reconstructed Cu surface is significantly lower than that on the clean surface both in the direction of the missing rows and in the direction perpendicular to them.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
1 More
  • Received 27 October 2006

DOI:https://doi.org/10.1103/PhysRevB.75.075402

©2007 American Physical Society

Authors & Affiliations

S. Jaatinen*, J. Blomqvist, and P. Salo

  • Laboratory of Physics, Helsinki University of Technology, P.O. Box 1100, FI-02015 TKK, Finland

A. Puisto and M. Alatalo

  • Department of Electrical Engineering, Lappeenranta University of Technology, P.O. Box 20, FI-53851 Lappeenranta, Finland

M. Hirsimäki, M. Ahonen, and M. Valden

  • Surface Science Laboratory, Tampere University of Technology, P.O. Box 692, FI-33101 Tampere, Finland

  • *Electronic address: svj@fyslab.hut.fi

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 75, Iss. 7 — 15 February 2007

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 B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×