ARTICLEMechanistic Insights into Selective Oxidation of Ethanol on Au(111): A DFT Study
Graphical abstract
This paper describes reaction mechanism for selective oxidation of ethanol on Au(111). Oxygen atom pre-covered Au(111) facilitates the ethanol oxidization into acetaldehyde that can be further oxidized to ethyl acetate or acetic acid.
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This work was supported by the National Natural Science Foundation of China (21006068), the Program for New Century Excellent Talents in University (NCET-10-0611), and the Program of Introducing Talents of Discipline to Universities (B06006).