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

0349702 - ÚFCH JH 2011 RIV NL eng J - Článek v odborném periodiku
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
Grant CEP: GA AV ČR KAN100400702
Výzkumný záměr: CEZ:AV0Z40400503
Klíčová slova: electrocatalysis * ethylene oxidation * DFT
Kód oboru RIV: CG - Elektrochemie
Impakt faktor: 2.993, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0189865