Study of friction of CO molecule adsorbed on Pt(997) surface

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Abstract

We state molecular dynamics simulation of the motion of CO molecules adsorbed on a stepped Pt(997) surface to account for experimental results of transient mobility after colliding with energy-controlled rare gas atoms. When energy-controlled rare gas atoms collide with CO molecules adsorbed on the stepped surface, CO molecules can be displaced from initial terrace sites to final step sites, which is observed experimentally. Measured population of CO molecules at the step site after collisions was well explained by the simulation, which is including an electronic friction. The estimated friction coefficient is compared with the reported lifetime of vibrational modes in an actual potential energy surface of Pt surface. The decay of the CO kinetic energy as a function of the travel distance is also discussed based on the estimated friction coefficient.

Original languageEnglish
Pages (from-to)19969-19978
Number of pages10
JournalJournal of Physical Chemistry C
Volume112
Issue number50
DOIs
Publication statusPublished - 2008 Dec 1

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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