Number of the records: 1

MetaCentrum Yearbook 2010

SYSNO ASEP	0367767
Document Type	M - Monograph Chapter
R&D Document Type	The record was not marked in the RIV
Title	DFT Study of the Oxametallacycle Formation on Platinum Clusters
Author(s)	Šebera, Jakub (UOCHB-X)_{RID, ORCID} Záliš, Stanislav (UFCH-W)_{RID, ORCID}
Number of authors	2
Source Title	MetaCentrum Yearbook 2010. - Příbram : CESNET, 2011 / Křenková I. ; Hanousek P. ; Matyska L. - ISBN 978-80-904689-3-1
Pages	s. 109-112
Number of pages	4 s.
Number of pages	118
Language	eng - English
Country	CZ - Czech Republic
Keywords	B3LYP ; catalysis ; oxidation of ethylene
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	KAN100400702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
	AV0Z40400503 - UFCH-W (2005-2011)
Annotation	DFT calculations of the oxidation of ethylene on platinum nanostructures lead to a formation of acetaldehyde as a major product. In the experimental studies, the ethylene oxidation proceeds carbon dioxide. It is known that further oxidation of acetaldehyde forms carbon dioxide. DFT results support experimental findings and indicate possible reaction mechanisms of catalytic reactions.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2012

Number of the records: 1