Počet záznamů: 1

Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites

  1. 1.
    0364655 - UOCHB-X 2012 RIV US eng J - Článek v odborném periodiku
    Bulánek, R. - Frolich, K. - Cicmanec, P. - Nachtigallová, Dana - Pulido, A. - Nachtigall, P.
    Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites.
    Journal of Physical Chemistry C. Roč. 115, č. 27 (2011), s. 13312-13321 ISSN 1932-7447
    Grant CEP: GA ČR GA203/09/0143; GA MŠk LC512
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: augmented-wave method * high-silica zeolites * co adsorption * infrared-spectroscopy
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 4.805, rok: 2011

    Carbon monoxide is frequently used as a probe molecule for characterization of adsorption sites in zeolites by means of infrared (IR) spectroscopy. IR spectra of carbonyl species in zeolites are usually understood within a concept of CO adsorption on a single cation site. This concept, however, is not sufficient in microporous materials when the concentration of cationic sites increases. Adsorption complexes formed on homogeneous dual cation sites were recently described based on a combination of experimental and theoretical investigations. The concept of dual cation sites is extended for the situation where CO is strongly bound on the Cu+ cation and it also interacts with the extra-framework alkali-metal cation. The existence and properties of the CO adsorption complexes on such heterogeneous dual cation sites are discussed for Cu,M-FER zeolites (M = H, Na, K, Cs) having various compositions.
    Trvalý link: http://hdl.handle.net/11104/0200084