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.
SYSNO ASEP 0345231 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název 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 Tvůrce(i) Sklenák, Štěpán (UFCH-W) RID, ORCID, SAI
Andrikopoulos, Prokopis C. (UFCH-W) RID, ORCID
Boekfa, Bundet (UFCH-W)
Jansang, Bavornpon (UFCH-W)
Nováková, Jana (UFCH-W) RID
Benco, L. (AT)
Bucko, T. (AT)
Hafner, J. (AT)
Dědeček, Jiří (UFCH-W) RID, ORCID
Sobalík, Zdeněk (UFCH-W) RIDZdroj.dok. Journal of Catalysis. - : Elsevier - ISSN 0021-9517
Roč. 272, č. 2 (2010), s. 262-274Poč.str. 13 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova N2O decomposition ; Fe in ferrierite ; Fe in ZSM-5 Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP IAA400400812 GA AV ČR - Akademie věd IAA400400908 GA AV ČR - Akademie věd IAA400400904 GA AV ČR - Akademie věd GA203/09/1627 GA ČR - Grantová agentura ČR KAN100400702 GA AV ČR - Akademie věd CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000279567900010 DOI 10.1016/j.jcat.2010.04.008 Anotace 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. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2011
Počet záznamů: 1