Gomez-Hortiguela, L and Pinar, AB and Cora, F and Perez-Pariente, J (2010) Dopant-siting selectivity in nanoporous catalysts: control of proton accessibility in zeolite catalysts through the rational use of templates. CHEM COMMUN , 46 (12) 2073 - 2075. 10.1039/b920648e.
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Abstract
A computational study is performed to rationalize the effect of the organic template molecules used in the synthesis of zeolites on their catalytic behaviour. Apart from being structure-directing, these molecules influence the location of heteroatoms. Molecules bearing acidic protons susceptible to forming H-bonds with framework oxygens show the strongest dopant-siting direction.
| Type: | Article |
|---|---|
| Title: | Dopant-siting selectivity in nanoporous catalysts: control of proton accessibility in zeolite catalysts through the rational use of templates |
| DOI: | 10.1039/b920648e |
| Keywords: | CATION |
| UCL classification: | UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry |
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