Site-specific Xe additions into Cu-ZSM-5 zeolite

Takashi Yumura, Hiroki Yamashita, Hiroe Torigoe, Hisayoshi Kobayashi, Yasushige Kuroda

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

Large-scale density functional theory (DFT) calculations found significant preferences of two-coordinated copper cations as Xe binding site in ZSM-5. Such site-preferences cannot be seen in usual adsorbents such as the CO or NO molecule inside Cu-ZSM-5 as well as the Xe atom inside alkali-metal exchanged ZSM-5s. A key factor in the specificity of the inner Xe atom is that interactions of the Xe atom with the extraframework copper cation are substantial relative to the extraframework alkali-metal cases, but weak relative to the CO and NO cases. Since the Xe atom can distinguish two-coordinated copper cations from others, it can be utilized to track sensitively the location of active sites of Cu-ZSM-5.

Original languageEnglish
Pages (from-to)2392-2400
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume12
Issue number10
DOIs
Publication statusPublished - Mar 14 2010

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Alkali Metals
Cations
Copper
Carbon Monoxide
Atoms
cations
copper
alkali metals
atoms
Catalytic Domain
adsorbents
Binding Sites
Adsorbents
Density functional theory
density functional theory
Molecules
ZSM-5 zeolite
molecules
interactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)
  • Medicine(all)

Cite this

Site-specific Xe additions into Cu-ZSM-5 zeolite. / Yumura, Takashi; Yamashita, Hiroki; Torigoe, Hiroe; Kobayashi, Hisayoshi; Kuroda, Yasushige.

In: Physical Chemistry Chemical Physics, Vol. 12, No. 10, 14.03.2010, p. 2392-2400.

Research output: Contribution to journalArticle

Yumura, T, Yamashita, H, Torigoe, H, Kobayashi, H & Kuroda, Y 2010, 'Site-specific Xe additions into Cu-ZSM-5 zeolite', Physical Chemistry Chemical Physics, vol. 12, no. 10, pp. 2392-2400. https://doi.org/10.1039/b919032e
Yumura, Takashi ; Yamashita, Hiroki ; Torigoe, Hiroe ; Kobayashi, Hisayoshi ; Kuroda, Yasushige. / Site-specific Xe additions into Cu-ZSM-5 zeolite. In: Physical Chemistry Chemical Physics. 2010 ; Vol. 12, No. 10. pp. 2392-2400.
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