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Band gap modulation of zirconium-based metal-organic frameworks by defect engineering
Marco Taddei 
,
Giulia Schukraft,
Michael Warwick ,
Davide Tiana,
Matthew McPherson ,
Daniel Jones,
Camille Petit
,
Giulia Schukraft,
Michael Warwick ,
Davide Tiana,
Matthew McPherson ,
Daniel Jones,
Camille Petit
Journal of Materials Chemistry A
Swansea University Authors:
Marco Taddei , Michael Warwick , Matthew McPherson , Daniel Jones
-
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DOI (Published version): 10.1039/C9TA05216J
Abstract
We report a defect-engineering approach to modulate the band gap of zirconium-based metal-organic framework UiO-66, enabled by grafting of a range of amino-functionalised benzoic acids at defective sites. Defect engineered MOFs were obtained by both post-synthetic exchange and modulated synthesis, f...
| Published in: | Journal of Materials Chemistry A |
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| ISSN: | 2050-7488 2050-7496 |
| Published: |
2019
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| Online Access: |
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| URI: | https://cronfa.swan.ac.uk/Record/cronfa51512 |
| Abstract: |
We report a defect-engineering approach to modulate the band gap of zirconium-based metal-organic framework UiO-66, enabled by grafting of a range of amino-functionalised benzoic acids at defective sites. Defect engineered MOFs were obtained by both post-synthetic exchange and modulated synthesis, featuring band gap in the 4.1-3.3 eV range. First principle calculations suggest that shrinking of the band gap is likely due to an upward shift of the valence band energy, as a result of the presence of light-absorbing monocarboxylates. The photocatalytic properties of defect-engineered MOFs towards CO2 reduction to CO in the gas phase and degradation of Rhodamine B in water were tested, observing improved activity in both cases, in comparison to a defective UiO-66 bearing formic acid as the defect-compensating species. |
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| College: |
Faculty of Science and Engineering |