Enhanced vibrations at surfaces with back-bonds nearly parallel to the surface

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It has been discovered that several very different surfaces exhibit a common property: unusually large vibration amplitudes of the outermost atoms, well beyond the enhancement normally expected at typical clean surfaces. These special surfaces are: ice H2O(0001), alpha-Al2O3(0001), alpha-Ga(010) and Si(111)-(2x1). The root-mean-square vibration amplitudes in these surfaces are at least double the bulk values. The common cause that may explain these vibration amplitudes is that the surface atoms (or molecules in the case of ice) only have back-bonds that are nearly parallel to the surface. In this geometry, vibrations, especially perpendicular to the surface, involve primarily bond bending rather ... continued below

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Van Hove, M.A. March 16, 2004.

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Description

It has been discovered that several very different surfaces exhibit a common property: unusually large vibration amplitudes of the outermost atoms, well beyond the enhancement normally expected at typical clean surfaces. These special surfaces are: ice H2O(0001), alpha-Al2O3(0001), alpha-Ga(010) and Si(111)-(2x1). The root-mean-square vibration amplitudes in these surfaces are at least double the bulk values. The common cause that may explain these vibration amplitudes is that the surface atoms (or molecules in the case of ice) only have back-bonds that are nearly parallel to the surface. In this geometry, vibrations, especially perpendicular to the surface, involve primarily bond bending rather than bond stretching/compression: since bond bending is relatively soft, the corresponding vibration modes can have larger amplitudes. It is suggested that theory examine and confirm this cause of enhanced surface vibration amplitudes, and explore its implication for other phenomena such as adsorption and catalysis.

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OSTI as DE00835351

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  • Journal Name: Journal of Physical Chemistry B; Journal Volume: 108; Journal Issue: 38; Other Information: Submitted to Journal of Physical Chemistry B, Volume 108, No.38; Journal Publication Date: 09/23/2004

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  • Report No.: LBNL--54738
  • Grant Number: AC03-76SF00098
  • Office of Scientific & Technical Information Report Number: 835351
  • Archival Resource Key: ark:/67531/metadc786237

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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  • March 16, 2004

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  • Dec. 3, 2015, 9:30 a.m.

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  • June 15, 2016, 1:07 p.m.

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Van Hove, M.A. Enhanced vibrations at surfaces with back-bonds nearly parallel to the surface, article, March 16, 2004; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc786237/: accessed June 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.