About: Characterization of the Cu+ Sites in High-Silica Zeolites Interacting with CO Molecule: Combined Computational and Experimental Study.

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Characterization of the Cu+ Sites in High-Silica Zeolites Interacting with CO Molecule: Combined Computational and Experimental Study. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. (en)
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. (en)
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. (en)
skos:notation	RIV/61388955:_____/03:54030115!RIV/2004/AV0/A54004/N
http://linked.open.../vavai/riv/strany	2327;2332
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/00/0637), P(LN00A032), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika	N/A
http://linked.open...vai/riv/dodaniDat	2004
http://linked.open...aciTvurceVysledku	Davidová, Markéta Nachtigall, Petr Nachtigallová, Dana
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	600961
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/03:54030115
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	exchanged ZSM-5 zeolite; x-ray absorption; photoluminescence spectra (en)
http://linked.open.../riv/klicoveSlovo	x-ray absorption exchanged ZSM-5 zeolite photoluminescence spectra
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[79B2E2D0A2E9]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry. B
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of complex molecular systems and biomolecules Theoretical study of interactions of transition metal ions with zeolites
http://linked.open...UplatneniVysledku	2003
http://linked.open...v/svazekPeriodika	107
http://linked.open...iv/tvurceVysledku	Bulánek, R. Nachtigall, Petr Nachtigallová, Dana Davidová, Markéta
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
issn	1089-5647
number of pages	6 (xsd:int)

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 36 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software