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Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F03%3A54030115%21RIV%2F2004%2FAV0%2FA54004%2FN
rdf:type
skos:Concept n14:Vysledek
dcterms:description
Interactions of the CO molecule with the Cu+ sites within MFI and FER matrices were investigated by means of the combined quantum mechanics/interatomic potential function method. CO molecules strongly interact with both dominant Cu+ site types (on the channel wall and on the channel intersection) in high-silica zeolite matrices. Upon interaction with CO, the Cu+ ion stays coordinated to only two oxygen atoms of the single AIO(4) unit. The structure, coordination, and CO stretching frequencies were found to be very similar for both Cu+ site types. On the contrary, adsorption energies differ for individual site types. The results are in agreement with the available experimental data, and they were confirmed by the TPD experiments carried out for various zeolite matrices. Interactions of the CO molecule with the Cu+ sites within MFI and FER matrices were investigated by means of the combined quantum mechanics/interatomic potential function method. CO molecules strongly interact with both dominant Cu+ site types (on the channel wall and on the channel intersection) in high-silica zeolite matrices. Upon interaction with CO, the Cu+ ion stays coordinated to only two oxygen atoms of the single AIO(4) unit. The structure, coordination, and CO stretching frequencies were found to be very similar for both Cu+ site types. On the contrary, adsorption energies differ for individual site types. The results are in agreement with the available experimental data, and they were confirmed by the TPD experiments carried out for various zeolite matrices.
dcterms:title
Characterization of the Cu+ Sites in High-Silica Zeolites Interacting with CO Molecule: Combined Computational and Experimental Study. Characterization of the Cu+ Sites in High-Silica Zeolites Interacting with CO Molecule: Combined Computational and Experimental Study.
skos:prefLabel
Characterization of the Cu+ Sites in High-Silica Zeolites Interacting with CO Molecule: Combined Computational and Experimental Study. Characterization of the Cu+ Sites in High-Silica Zeolites Interacting with CO Molecule: Combined Computational and Experimental Study.
skos:notation
RIV/61388955:_____/03:54030115!RIV/2004/AV0/A54004/N
n3:strany
2327;2332
n3:aktivita
n13:Z n13:P
n3:aktivity
P(GA203/00/0637), P(LN00A032), Z(AV0Z4040901)
n3:cisloPeriodika
N/A
n3:dodaniDat
n6:2004
n3:domaciTvurceVysledku
n10:1747681 n10:9947248 n10:9831339
n3:druhVysledku
n17:J
n3:duvernostUdaju
n16:S
n3:entitaPredkladatele
n11:predkladatel
n3:idSjednocenehoVysledku
600961
n3:idVysledku
RIV/61388955:_____/03:54030115
n3:jazykVysledku
n9:eng
n3:klicovaSlova
exchanged ZSM-5 zeolite; x-ray absorption; photoluminescence spectra
n3:klicoveSlovo
n4:exchanged%20ZSM-5%20zeolite n4:x-ray%20absorption n4:photoluminescence%20spectra
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[79B2E2D0A2E9]
n3:nazevZdroje
Journal of Physical Chemistry. B
n3:obor
n5:CF
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
4
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:projekt
n15:LN00A032 n15:GA203%2F00%2F0637
n3:rokUplatneniVysledku
n6:2003
n3:svazekPeriodika
107
n3:tvurceVysledku
Nachtigall, Petr Davidová, Markéta Nachtigallová, Dana Bulánek, R.
n3:zamer
n18:AV0Z4040901
s:issn
1089-5647
s:numberOfPages
6