Metastable Structures and Recombination Pathways for Atomic Hydrogen on the Graphite (0001) Surface

L. Hornekær, Ž. Šljivančanin, W. Xu, R. Otero, E. Rauls, I. Stensgaard, E. Lægsgaard, B. Hammer, and F. Besenbacher
Phys. Rev. Lett. 96, 156104 – Published 20 April 2006

Abstract

We present scanning tunneling microscopy results which reveal the existence of two distinct hydrogen dimer states on graphite basal planes. Density functional theory calculations allow us to identify the atomic structure of these states and to determine their recombination and desorption pathways. Direct recombination is only possible from one of the two dimer states. This results in increased stability of one dimer species and explains the puzzling double peak structure observed in temperature programmed desorption spectra for hydrogen on graphite.

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  • Received 20 October 2005

DOI:https://doi.org/10.1103/PhysRevLett.96.156104

©2006 American Physical Society

Authors & Affiliations

L. Hornekær1,*, Ž. Šljivančanin2, W. Xu1, R. Otero1,†, E. Rauls1, I. Stensgaard1, E. Lægsgaard1, B. Hammer1, and F. Besenbacher1

  • 1Interdisciplinary Nanoscience Center (iNANO) and Department of Physics and Astronomy, University of Aarhus, Ny Munkegade bygning 1520, 8000 Aarhus C, Denmark
  • 2Ecole Polytechnique Fédérale de Lausanne (EPFL), ITP and IRRMA, CH-1015 Lausanne, Switzerland

  • *Electronic address: liv@phys.au.dk
  • Present address: Departmento de Física de la Materia Condensada, Universidad Autónoma de Madrid, 28049 Madrid, Spain.

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Vol. 96, Iss. 15 — 21 April 2006

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