Počet záznamů: 1

Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation

  1. 1.
    0331250 - UOCHB-X 2010 RIV NL eng J - Článek v odborném periodiku
    Areán, C. O. - Palomino, G. T. - Carayol, M. R. L. - Pulido, A. - Rubeš, Miroslav - Bludský, Ota - Nachtigall, P.
    Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation.
    Chemical Physics Letters. Roč. 477, 1/3 (2009), s. 139-143 ISSN 0009-2614
    Grant CEP: GA ČR GA203/09/0143; GA MŠk LC512
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: zeolites * DFT * adsorption
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.291, rok: 2009

    Calculations showed that adsorption complexes can be formed on two types of adsorption sites: Ca2+ in the center of six-member rings and Ca2+ in eight-member rings. Only the former adsorption complexes were experimentally observed in IR spectra; they are characterized by H–H stretching frequency of 4083 cm-1 and deltaH0=-12 kJ/mol in agreement with calculated results.
    Trvalý link: http://hdl.handle.net/11104/0005505