Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54010069" target="_blank" >RIV/61388955:_____/01:54010069 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Computational Study of Extraframework Cu+ Sites in Ferrierite: Structure, Coordination, and Photoluminescence Spectra.
Original language description
The interaction of the Cu+ ion in the lowest 3d(10) singlet and 3d(9)s(1) triplet states with the ferrierite matrix is studies computationally by means of a combined quantum mechanics/interatomic potential function technique. Contrary to ZSM-5, the siteson the wall of the main and perpendicular channels of ferrierite are more stable than the sites located on the channel intersection. It is suggested that the differences in populations of sites on the channel intersection found for ZSM-5 and ferrierite.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry. B
ISSN
1089-5647
e-ISSN
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Volume of the periodical
105
Issue of the periodical within the volume
17
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
3510-3517
UT code for WoS article
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EID of the result in the Scopus database
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