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

Volumn 272, Issue 2, 2010, Pages 262-274

  Sklenak, Stepan ^a   Andrikopoulos, Prokopis C ^a   Boekfa, Bundet ^a   Jansang, Bavornpon ^a   Nováková, Jana ^a   Benco, Lubomir ^b   Bucko, Tomas ^b   Hafner, Juergen ^b   Ddeek, Jií ^a   Sobalík, Zdenk ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

DFT; Fe in ferrierite; Fe in the beta zeolite; Fe in ZSM 5; N2O decomposition; VASP

Indexed keywords

ACTIVE SITE; BATCH EXPERIMENTS; BETA ZEOLITE; CATIONIC SITES; DIVALENT CATION; FE IN FERRIERITE; FE-BETA; FE-FERRIERITE; FE-ZSM5; FERRIERITE; GEOMETRICAL ARRANGEMENTS; IR SPECTROSCOPY; LOCAL STRUCTURE; MAS-NMR SPECTROSCOPY; MULTI-SPECTRAL; PERIODIC DFT; RING CHANNELS; SIX-MEMBERED RINGS; THEORETICAL CALCULATIONS; UV-VIS-NIR SPECTROSCOPY;

BINDING SITES; CATALYST ACTIVITY; EXPERIMENTS; INFRARED SPECTROSCOPY; NEAR INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POSITIVE IONS; SILICATE MINERALS; X RAY DIFFRACTION;

ZEOLITES;

EID: 77954216531     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2010.04.008     Document Type: Article

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