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

文献情報

出版日 2010-01-19

DOI 10.1039/B919032E

インパクトファクター 3.676

著者

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

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要旨

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.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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