Acid and redox properties of co-substituted aluminium phosphates

被引：24

作者：

Cora, F

Catlow, CRA

D'Ercole, A

机构：

[1] UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1X 4BS, England

[2] Univ Turin, Theoret Chem Grp, I-10125 Turin, Italy

来源：

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL | 2001年 / 166卷 / 01期

基金：

英国工程与自然科学研究理事会;

关键词：

redox properties; zeolites; aluminium phosphates; gallium phosphate;

D O I：

10.1016/S1381-1169(00)00469-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Ab initio quantum chemical techniques are applied to the investigation of structural and bonding properties of microporous aluminophosphates and gallophosphates. The calculations find a close measure of agreement with experimental structural data. The bonding in the materials is shown to be of 'molecular ionic' character, i.e. comprising Al3+ (Ga3+) and PO43- ions. Calculated redox energies are reported for Co-substituted materials. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：87 / 99

页数：13

共 31 条

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Bader R. F. W., 1990, INT SERIES MONOGRAPH, V22

[2] INVESTIGATION OF THE STRUCTURAL STABILITY OF COBALT-CONTAINING ALPO-44 MICROPOROUS MATERIALS [J].