CO adsorption on Pt-induced Ge nanowires

Danny E. P. Vanpoucke*, Geert Brocks

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

9 Citations (Web of Science)

Abstract

Using density-functional theory, we investigate the possible adsorption sites of CO molecules on the recently discovered Pt-induced Ge nanowires (NWs) on Ge(001). Calculated scanning tunneling microscope (STM) images are compared to experimental STM images to identify the experimentally observed adsorption sites. The CO molecules are found to adsorb preferably onto the Pt atoms between the Ge nanowire dimer segments. This adsorption site places the CO molecule in between two nanowire dimers, pushing them outward along the NW direction, blocking the nearest equivalent adsorption sites. This explains the observed long-range repulsive interaction between CO molecules on these Pt-induced nanowires.

Original languageEnglish
Article number235434
Number of pages13
JournalPhysical Review B (Condensed Matter and Materials Physics)
Volume81
Issue number23
DOIs
Publication statusPublished - 28 Jun 2010
Externally publishedYes

Keywords

  • AUGMENTED-WAVE METHOD
  • PT(111)
  • SURFACE
  • STM
  • OXIDATION
  • BINDING
  • GE(001)
  • SITES
  • IMAGE

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