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