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 |
|---|---|
| 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
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Liu, P., Rodriguez, J. A., Muckerman, J. T., & Hrbek, J. (2003). The deposition of Mo nanoparticles on Au(1 1 1) from a Mo(CO)6 precursor: Effects of CO on Mo-Au intermixing. Surface Science, 530(1-2), L313-L321. https://doi.org/10.1016/S0039-6028(03)00023-2