Characterization of Cu+ sites in FER: Combined computational and experimental TPD study
Result description
CO-TPD spectra of CO/Cu+/FER system were investigated and analyzed by a combination of experimental and theoretical techniques. Three Cu+ site types were identified. TPD spectra can be interpreted in terms of the computational results: CO desorbs first from the Cu+ sites in the vicinity of two framework AlO4 tetrahedra, followed by desorption from Cu+ sites in the perpendicular channel cavity. Sites in the main channel and on the intersection have the largest desorption energy.
Keywords
The result's identifiers
Result code in IS VaVaI
Alternative codes found
RIV/00216275:25310/05:00003425
Result on the web
—
DOI - Digital Object Identifier
—
Alternative languages
Result language
angličtina
Original language name
Characterization of Cu+ sites in FER: Combined computational and experimental TPD study
Original language description
CO-TPD spectra of CO/Cu+/FER system were investigated and analyzed by a combination of experimental and theoretical techniques. Three Cu+ site types were identified. TPD spectra can be interpreted in terms of the computational results: CO desorbs first from the Cu+ sites in the vicinity of two framework AlO4 tetrahedra, followed by desorption from Cu+ sites in the perpendicular channel cavity. Sites in the main channel and on the intersection have the largest desorption energy.
Czech name
Charakterizace pozic Cu+ ve FER: kombinovaná teoretická a experimentální TPD studie
Czech description
TPD spectra desorbce CO ze systému Cu+/FER byla studována pomocí kombinace experimentálních a teoretických metod. Byly identifikovány 3 typy pozic mědi. TPD spektra mohou být interpretována na základě teoretické studie: CO nejdříve desorbuje z pozic Cu vsousedství páru mřížkových hliníku, následuje desorbce z pozic mědi v malém kanálu zeolitu. Pozice mědi v hlavním kanále a na intersekci váží CO nejsilněji.
Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—
Result continuities
Project
LC512: Center for biomolecules and complex molecular systems
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2005
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Studies in Surface Science and Catalysis
ISSN
0167-2991
e-ISSN
—
Volume of the periodical
158
Issue of the periodical within the volume
-
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
8
Pages from-to
925-932
UT code for WoS article
—
EID of the result in the Scopus database
—
Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
CF - Physical chemistry and theoretical chemistry
Year of implementation
2005