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Dynamic acidity in defective UiO-66

Ling, S; Slater, B; (2016) Dynamic acidity in defective UiO-66. Chemical Science , 7 (7) pp. 4706-4712. 10.1039/C5SC04953A. Green open access

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Abstract

The metal–organic framework (MOF) material UiO-66 has emerged as one of the most promising MOF materials due to its thermal and chemical stability and its potential for catalytic applications. Typically, as-synthesised UiO-66 has a relatively high concentration of missing linker defects. The presence of these defects has been correlated with catalytic activity but characterisation of defect structure has proved elusive. We refine a recent experimental determination of defect structure using static and dynamic first principles approaches, which reveals a dynamic and labile acid centre that could be tailored for functional applications in catalysis.

Type: Article
Title: Dynamic acidity in defective UiO-66
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/C5SC04953A
Publisher version: http://dx.doi.org/10.1039/C5SC04953A
Additional information: This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0).
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/1497151
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