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Title: Insight into selective oxidation of alcohol on Au-Pd catalysts : a DFT study
Author: Liu, Jialong
ISNI:       0000 0004 5371 6336
Awarding Body: Queen's University Belfast
Current Institution: Queen's University Belfast
Date of Award: 2014
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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.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available