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MetaCentrum Yearbook 2010

  1. 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