Abstract
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 language | English |
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Pages (from-to) | L313-L321 |
Journal | Surface Science |
Volume | 530 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - Apr 20 2003 |
Keywords
- 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