Number of the records: 1
MetaCentrum Yearbook 2010
- 1.0367767 - ÚOCHB 2012 CZ eng M - Monography Chapter
Šebera, Jakub - Záliš, Stanislav
DFT Study of the Oxametallacycle Formation on Platinum Clusters.
MetaCentrum Yearbook 2010. Příbram: CESNET, 2011 - (Křenková, I.; Hanousek, P.; Matyska, L.), s. 109-112. ISBN 978-80-904689-3-1
R&D Projects: GA AV ČR KAN100400702
Grant - others:GA MŠk(CZ) LM2010005
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503
Keywords : B3LYP * catalysis * oxidation of ethylene
Subject RIV: CF - Physical ; Theoretical Chemistry
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.
Permanent Link: http://hdl.handle.net/11104/0202322
Number of the records: 1