First-principles calculations within the density functional theory (DFT) framework were used to investigate selective oxidation of alcohol on Au-Pd catalysts. The selective oxidation of benzyl alcohol and 1 ,2-propanediol were studied, concerning mainly on the activity and selectivity, respectively.
| Identifer | oai:union.ndltd.org:bl.uk/oai:ethos.bl.uk:675668 |
| Date | January 2014 |
| Creators | Liu, Jialong |
| Publisher | Queen's University Belfast |
| Source Sets | Ethos UK |
| Detected Language | English |
| Type | Electronic Thesis or Dissertation |
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