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Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F08%3A00315410%21RIV10-AV0-61388955
rdf:type
skos:Concept n17:Vysledek
dcterms:description
The decomposition of N2O on the iron exchanged ferrierite zeolite was studied computationally employing a periodic DFT approach and experimentally using a static and in-situ FTIR method. The calculations yielded the reaction energies and barriers for the entire courde of the N2O decomposition. We used three distinctive cationic sites (Alpha, Beta-1 and Beta-2) to study the effects of the local arrangements of the Fe active site on the course of the decomposition. We focused on the dual role of NO in the N2O decomposition and furthermore on the dependence of the N2O decomposition on the NO concentration as well as on the nature of the iron-zeolite. The decomposition of N2O on the iron exchanged ferrierite zeolite was studied computationally employing a periodic DFT approach and experimentally using a static and in-situ FTIR method. The calculations yielded the reaction energies and barriers for the entire courde of the N2O decomposition. We used three distinctive cationic sites (Alpha, Beta-1 and Beta-2) to study the effects of the local arrangements of the Fe active site on the course of the decomposition. We focused on the dual role of NO in the N2O decomposition and furthermore on the dependence of the N2O decomposition on the NO concentration as well as on the nature of the iron-zeolite.
dcterms:title
N2O decomposition on iron exchanged ferrierite. A combined periodic DFT and static In-situ FTIR study N2O decomposition on iron exchanged ferrierite. A combined periodic DFT and static In-situ FTIR study
skos:prefLabel
N2O decomposition on iron exchanged ferrierite. A combined periodic DFT and static In-situ FTIR study N2O decomposition on iron exchanged ferrierite. A combined periodic DFT and static In-situ FTIR study
skos:notation
RIV/61388955:_____/08:00315410!RIV10-AV0-61388955
n3:aktivita
n12:P n12:Z
n3:aktivity
P(GA203/06/1449), Z(AV0Z40400503)
n3:dodaniDat
n7:2010
n3:domaciTvurceVysledku
n9:5630134 n9:3023338 Gao, Fei Jansang, Bavornpon Li, Chengbin Boekfa, Bundet n9:7850093
n3:druhVysledku
n6:D
n3:duvernostUdaju
n14:S
n3:entitaPredkladatele
n19:predkladatel
n3:idSjednocenehoVysledku
383636
n3:idVysledku
RIV/61388955:_____/08:00315410
n3:jazykVysledku
n4:eng
n3:klicovaSlova
periodic DFT; Fe-zeolite; VASP; ferrierite
n3:klicoveSlovo
n15:ferrierite n15:VASP n15:Fe-zeolite n15:periodic%20DFT
n3:kontrolniKodProRIV
[568642341915]
n3:mistoKonaniAkce
Paris
n3:mistoVydani
Oxford
n3:nazevZdroje
Zeolites and Related Materials: Trends, Targets and Challenges
n3:obor
n16:CF
n3:pocetDomacichTvurcuVysledku
7
n3:pocetTvurcuVysledku
10
n3:projekt
n10:GA203%2F06%2F1449
n3:rokUplatneniVysledku
n7:2008
n3:tvurceVysledku
Tvarůžková, Zdenka Benco, L. Jansang, Bavornpon Sobalík, Zdeněk Li, Chengbin Gao, Fei Sklenák, Štěpán Boekfa, Bundet Bucko, T. Hafner, J.
n3:typAkce
n20:WRD
n3:zahajeniAkce
2008-09-01+02:00
n3:zamer
n8:AV0Z40400503
s:numberOfPages
4
n13:hasPublisher
Elsevier
n21:isbn
978-0-444-53297-8