caa a22 4500 463252101 CHVBK 20180405153343.0 cr unu---uuuuu 170326e20071101xx s 000 0 eng 10.1007/s10562-007-9200-z doi (NATIONALLICENCE)springer-10.1007/s10562-007-9200-z Recent Advances in Understanding CO Oxidation on Gold Nanoparticles Using Density Functional Theory [Elektronische Daten] [Ying Chen, Paul Crawford, P. Hu] Since the discovery of a series of Au-based catalysts by Haruta etal. considerable progress has been made in understanding the active role of Au in CO oxidation catalysis. This review provides a summary of recent theoretical work performed in this field; in particular it addresses DFT studies of CO oxidation catalysis over free and supported gold nanoparticles. Several properties of the Au particles have been found to contribute to their unique catalytic activity. Of these properties, the low-coordination state of the Au atoms is arguably the most pertinent, although other properties of the Au cluster atoms, such as electronic charge, cannot be ignored. The current consensuses regarding the mechanism for CO oxidation over Au-based catalysts is also discussed. Finally, water-enhanced catalysis of CO oxidation on Au clusters is summarized. Springer Science+Business Media, LLC, 2007 Density functional theory nationallicence Gold nanoparticles nationallicence Chen Ying School of Chemistry and Chemical Engineering, The Queen's University of Belfast, BT9 5AG, Belfast, UK aut Crawford Paul School of Chemistry and Chemical Engineering, The Queen's University of Belfast, BT9 5AG, Belfast, UK aut Hu P. School of Chemistry and Chemical Engineering, The Queen's University of Belfast, BT9 5AG, Belfast, UK aut Catalysis Letters Springer US; http://www.springer-ny.com 119/1-2(2007-11-01), 21-28 1011-372X 119:1-2<21 2007 119 10562 https://doi.org/10.1007/s10562-007-9200-z text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10562-007-9200-z text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Chen Ying School of Chemistry and Chemical Engineering, The Queen's University of Belfast, BT9 5AG, Belfast, UK aut NATIONALLICENCE 700 1- Crawford Paul School of Chemistry and Chemical Engineering, The Queen's University of Belfast, BT9 5AG, Belfast, UK aut NATIONALLICENCE 700 1- Hu P. School of Chemistry and Chemical Engineering, The Queen's University of Belfast, BT9 5AG, Belfast, UK aut NATIONALLICENCE 773 0- Catalysis Letters Springer US; http://www.springer-ny.com 119/1-2(2007-11-01), 21-28 1011-372X 119:1-2<21 2007 119 10562 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer