Electrochemical and density functional studies of the catalytic ethylene oxidation on nanostructured Au electrodes

0349702 - ÚFCH JH 2011 RIV NL eng J - Journal Article
Šebera, Jakub - Hoffmannová, Hana - Krtil, Petr - Samec, Zdeněk - Záliš, Stanislav
Electrochemical and density functional studies of the catalytic ethylene oxidation on nanostructured Au electrodes.
Catalysis Today. Roč. 158, 1-2 (2010), s. 29-34. ISSN 0920-5861. E-ISSN 1873-4308
R&D Projects: GA AV ČR KAN100400702
Institutional research plan: CEZ:AV0Z40400503
Keywords : electrocatalysis * ethylene oxidation * DFT
Subject RIV: CG - Electrochemistry
Impact factor: 2.993, year: 2010

Electrocatalytic oxidation of ethylene on gold was investigated by means of differential electrochemical mass spectroscopy (DEMS), quartz crystal microbalance (QCM) and DFT calculations. The product analysis indicates a selectivity of the polycrystalline gold towards formation of acetaldehyde. The oxidation process on fresh surface prepared by surface gold oxide reduction, on the other hand, forms mainly carbon dioxide. The oxidation process encompasses metal dissolution. DFT based analysis of the ethylene oxidation on Au clusters was employed to interpret the experimental data. DFT calculations support experimental findings and indicate possible reaction mechanisms of catalytic reactions. DFT calculations point to the different reactivity on individual types of surfaces and different types of clusters.
Permanent Link: http://hdl.handle.net/11104/0189865