FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F06%3A00043558" target="_blank" >RIV/61388963:_____/06:00043558 - 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
FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER
Original language description
The interaction, at a low temperature, between molecular hydrogen and the zeolite Li-FER was studied by means of variable-temperature infrared spectroscopy and theoretical calculations using a periodic DFT model. Three different Li+ site types with respect to H2 adsorption were found in the zeolite, two of which adsorb dihydrogen. Calculations showed a similar interaction energy for these two sites, which was found to agree with the experimentally determined value of standard adsorption enthalpy: .delta.H0 = -4.1 (+/-0.8) kJ/mol.
Czech name
FTIR a teoretická studie adsorbce vodíku na Li-FER zeolitu
Czech description
Interakce mezi molekulárním vodíkem a zeolitem Li-FER byla studována za nízkých teplot pomocí VTIR spektroskopie a pomocí periodického DFT modelu. Tři různé typy mimomřížkových kationtů Li+ byly nalezeny z hlediska interakce s molekulárním vodíkem. Dva ztěchto typů jsou schopny adsorbovat molekulární vodík. Vypočtené a experimentální enthalpie jsou v dobré shodě: .delta.H0 = -4.1 (+/-0.8) kJ/mol.
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
2006
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
8
Issue of the periodical within the volume
19
Country of publishing house
GB - UNITED KINGDOM
Number of pages
7
Pages from-to
2286-2292
UT code for WoS article
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EID of the result in the Scopus database
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