Počet záznamů: 1

N2O decomposition over Fe-zeolites: Structure of the active sites and the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5, and Fe-beta. A combined periodic DFT and multispectral study

  1. 1.
    0345231 - UFCH-W 2011 RIV US eng J - Článek v odborném periodiku
    Sklenák, Štěpán - Andrikopoulos, Prokopis C. - Boekfa, Bundet - Jansang, Bavornpon - Nováková, Jana - Benco, L. - Bucko, T. - Hafner, J. - Dědeček, Jiří - Sobalík, Zdeněk
    N2O decomposition over Fe-zeolites: Structure of the active sites and the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5, and Fe-beta. A combined periodic DFT and multispectral study.
    Journal of Catalysis. Roč. 272, č. 2 (2010), s. 262-274 ISSN 0021-9517
    Grant CEP: GA AV ČR IAA400400812; GA AV ČR IAA400400908; GA AV ČR IAA400400904; GA ČR GA203/09/1627; GA AV ČR KAN100400702
    Výzkumný záměr: CEZ:AV0Z40400503
    Klíčová slova: N2O decomposition * Fe in ferrierite * Fe in ZSM-5
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 5.415, rok: 2010

    The N2O decomposition over Fe-ferrierite, Fe-beta, and Fe-ZSM-5 has been recently studied [K.Jisa, J. Novakova, M.Schwarze, A. Vondrova, S. Sklenak, Z. Sobalik, J. Catal. 262(2009)27] and a superior activity of Fe-ferrierite with respect to Fe-beta and Fe-ZSM-5 has been shown. In this study, we investigated (1) plausible active sites for the N2O decomposition over Fe-ferrierite and (2) the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5 and Fe-beta employing a combined theoretical (periodic DFT) and experimental (UV–vis–NIR spectroscopy, IR spectroscopy, 29Si MAS NMR spectroscopy and catalytic batch experiments) approach. We evidenced that two Fe(II) cations accommodated in two adjacent six-membered rings in the eight-membered ring channel (β sites) of Fe-ferrierite (the calculated Fe–Fe distance is 7.4 Å) form the active site responsible for the superior activity of this catalyst in the N2O decomposition in the absence of NO. Similar structures can be formed in Fe-beta.
    Trvalý link: http://hdl.handle.net/11104/0186547