Novel Water Overlayer Growth on Pd(111) Characterized with Scanning Tunneling Microscopy and Density Functional Theory

J. Cerdá, A. Michaelides, M.-L. Bocquet, Peter J. Feibelman, T. Mitsui, M. Rose, E. Fomin, and M. Salmeron
Phys. Rev. Lett. 93, 116101 – Published 7 September 2004

Abstract

Scanning tunneling microscopy (STM) images of water submonolayers on Pd(111) reveal quasiperiodic and isolated adclusters with internal structure that would ordinarily be ascribed to icelike puckered hexagonal units. However, density functional theory and STM simulations contradict this conventional picture, showing instead that the water adlayers are composed mainly of flat-lying molecules arranged in planar water hexagons. A new rule for two dimensional (2D) water growth is offered that generates the structures observed experimentally from planar hexamer units.

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  • Received 6 May 2004

DOI:https://doi.org/10.1103/PhysRevLett.93.116101

©2004 American Physical Society

Authors & Affiliations

J. Cerdá1, A. Michaelides2,3, M.-L. Bocquet3,*, Peter J. Feibelman4, T. Mitsui5, M. Rose5, E. Fomin5, and M. Salmeron5

  • 1Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, 28049 Madrid, Spain
  • 2Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.
  • 3Laboratoire de Chimie, UMR 5182, Ecole Normale Supérieure, Lyon, France
  • 4Sandia National Laboratories, Albuquerque, New Mexico 87185-1415, USA
  • 5Lawrence Berkeley Laboratory, University of California, Berkeley, USA

  • *Electronic address: mbocquet@ens-lyon.fr

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Vol. 93, Iss. 11 — 10 September 2004

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