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γ-氧化铝中尖晶石空位的位置

Location of the Spinel Vacancies in γ-Al O.

作者信息

Prins Roel

机构信息

Institute for Chemical and Bioengineering, ETH Zürich, Vladimir-Prelog-Weg 1, 8093, Zürich, Switzerland.

出版信息

Angew Chem Int Ed Engl. 2019 Oct 21;58(43):15548-15552. doi: 10.1002/anie.201901497. Epub 2019 Aug 28.

Abstract

A non-spinel model for the structure of γ-Al O , with 25 % of the Al cations at tetrahedral positions, has been the subject of wide interest. However, O NMR measurements and, more recently, Al NMR measurements have shown that there are considerably more Al cations at tetrahedral positions. This means that the Al vacancies in γ-Al O are not at tetrahedral but at octahedral positions, as in isostructural γ-Fe O and in accordance with density functional theory predictions. This has consequences with regard to the surface structure of γ-Al O , and thus, for catalysis.

摘要

一种γ-Al₂O₃结构的非尖晶石模型,其中25%的铝阳离子处于四面体位置,一直备受广泛关注。然而,¹⁷O核磁共振测量以及最近的²⁷Al核磁共振测量表明,处于四面体位置的铝阳离子要多得多。这意味着γ-Al₂O₃中的铝空位不在四面体位置,而是在八面体位置,这与同结构的γ-Fe₂O₃一样,并且符合密度泛函理论预测。这对γ-Al₂O₃的表面结构有影响,因此对催化也有影响。

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