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

被引：25

作者：

Sebera, J. ^{[1
]}

Hoffmannova, H. ^{[1
]}

Krtil, P. ^{[1
]}

Samec, Z. ^{[1
]}

Zalis, S. ^{[1
]}

机构：

[1] Acad Sci Czech Republ, J Heyrovsky Inst Phys Chem, VVI, CR-18223 Prague 8, Czech Republic

来源：

CATALYSIS TODAY | 2010年 / 158卷 / 1-2期

关键词：

Electrocatalysis; Ethylene oxidation; DFT; Gold clusters; Nanostructured Au electrodes; Quartz crystal microbalance; MASS-SPECTROMETRY; BASIS-SET; GOLD; ADSORPTION; DFT; POLYCRYSTALLINE; EPOXIDATION; PT(111); ETHENE; OXYGEN;

D O I：

10.1016/j.cattod.2010.05.025

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

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. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：29 / 34

页数：6

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