The deposition of Mo nanoparticles on Au(1 1 1) from a Mo(CO)6 precursor: Effects of CO on Mo-Au intermixing

Ping Liu, José A. Rodriguez, James T. Muckerman, Jan Hrbek

Research output: Contribution to journalArticlepeer-review

23 Citations (Scopus)


Density functional theory and slab models are used to study the effects of CO on the configuration of Mo/Au(1 1 1) interfaces. In the absence of CO, the theoretical calculations show site exchange or intermixing after depositing Mo atoms on Au(1 1 1). The presence of CO prevents Mo-Au intermixing and, thus, enhances the mobility of Mo on the surface. This phenomenon can explain a novel growth mode found when using Mo(CO)6 as a precursor for the preparation of metal nanoparticles on Au(1 1 1).

Original languageEnglish
Pages (from-to)L313-L321
JournalSurface Science
Issue number1-2
Publication statusPublished - Apr 20 2003


  • Carbon monoxide
  • Density functional calculations
  • Gold
  • Metal-metal interfaces
  • Molybdenum
  • Surface chemical reaction

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

Fingerprint Dive into the research topics of 'The deposition of Mo nanoparticles on Au(1 1 1) from a Mo(CO)<sub>6</sub> precursor: Effects of CO on Mo-Au intermixing'. Together they form a unique fingerprint.

Cite this