Abstract
DFT calculations for the adsorption of NO on M2 and MO (M = Rh, Pd) clusters are presented. NO is adsorbed in a bridge position on M 2 (M-NO-M) and in a bent configuration on MO (OM-NO). The adsorption energy is larger for rhodium. The overall charge transfer is a back donation of electrons to the adsorbate which leads to an increase of the NO bond. The adsorption energy is smaller when the metal is oxidized as MO.
| Original language | English |
|---|---|
| Pages (from-to) | 318-320 |
| Number of pages | 3 |
| Journal | Applied Surface Science |
| Volume | 119 |
| Issue number | 3-4 |
| DOIs | |
| Publication status | Published - 1997 Oct |
Keywords
- Density functional calculations
- NO adsorption
- Palladium
- Rhodium
ASJC Scopus subject areas
- Chemistry(all)
- Condensed Matter Physics
- Physics and Astronomy(all)
- Surfaces and Interfaces
- Surfaces, Coatings and Films
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Endou, A., Yamauchi, R., Kubo, M., Stirling, A., & Miyamoto, A. (1997). Adsorption of NO on rhodium and palladium clusters: A density functional study. Applied Surface Science, 119(3-4), 318-320. https://doi.org/10.1016/S0169-4332(97)00202-X