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  • 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.
  • 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. (en)
  • 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 z těchto typů jsou schopny adsorbovat molekulární vodík. Vypočtené a experimentální enthalpie jsou v dobré shodě: .delta.H0 = -4.1 (+/-0.8) kJ/mol. (cs)
Title
  • FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER
  • FTIR a teoretická studie adsorbce vodíku na Li-FER zeolitu (cs)
  • FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER (en)
skos:prefLabel
  • FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER
  • FTIR a teoretická studie adsorbce vodíku na Li-FER zeolitu (cs)
  • FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER (en)
skos:notation
  • RIV/61388963:_____/06:00043558!RIV07-AV0-61388963
http://linked.open.../vavai/riv/strany
  • 2286;2292
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA203/06/0324), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika
  • 19
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
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http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 476428
http://linked.open...ai/riv/idVysledku
  • RIV/61388963:_____/06:00043558
http://linked.open...riv/jazykVysledku
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  • adsorption; hydrogen storage; spectroscopy (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [F982055AC2A4]
http://linked.open...i/riv/nazevZdroje
  • Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 8
http://linked.open...iv/tvurceVysledku
  • Areán, C. O.
  • Delgado, M. R.
  • Nachtigall, Petr
  • Nachtigallová, Dana
  • Garrone, E.
  • Palomino, G. T.
http://linked.open...n/vavai/riv/zamer
issn
  • 1463-9076
number of pages
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