Understanding and controlling water stability of MOF-74

Sebastian Zuluaga, Erika M A Fuentes-Fernandez, Kui Tan, Feng Xu, Jing Li, Yves J. Chabal, Timo Thonhauser

Research output: Contribution to journalArticle

38 Citations (Scopus)

Abstract

Metal organic framework (MOF) materials in general, and MOF-74 in particular, have promising properties for many technologically important processes. However, their instability under humid conditions severely restricts practical use. We show that this instability and the accompanying reduction of the CO2 uptake capacity of MOF-74 under humid conditions originate in the water dissociation reaction H2O → OH + H at the metal centers. After this dissociation, the OH groups coordinate to the metal centers, explaining the reduction in the MOF's CO2 uptake capacity. This reduction thus strongly depends on the catalytic activity of MOF-74 towards the water dissociation reaction. We further show that - while the water molecules themselves only have a negligible effect on the crystal structure of MOF-74 - the OH and H products of the dissociation reaction significantly weaken the MOF framework and lead to the observed crystal structure breakdown. With this knowledge, we propose a way to suppress this particular reaction by modifying the MOF-74 structure to increase the water dissociation energy barrier and thus control the stability of the system under humid conditions.

Original languageEnglish
Pages (from-to)5176-5183
Number of pages8
JournalJournal of Materials Chemistry A
Volume4
Issue number14
DOIs
Publication statusPublished - 2016

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Metals
Water
Crystal structure
Energy barriers
Catalyst activity
Hydrogen
Molecules

ASJC Scopus subject areas

  • Chemistry(all)
  • Renewable Energy, Sustainability and the Environment
  • Materials Science(all)

Cite this

Zuluaga, S., Fuentes-Fernandez, E. M. A., Tan, K., Xu, F., Li, J., Chabal, Y. J., & Thonhauser, T. (2016). Understanding and controlling water stability of MOF-74. Journal of Materials Chemistry A, 4(14), 5176-5183. https://doi.org/10.1039/c5ta10416e

Understanding and controlling water stability of MOF-74. / Zuluaga, Sebastian; Fuentes-Fernandez, Erika M A; Tan, Kui; Xu, Feng; Li, Jing; Chabal, Yves J.; Thonhauser, Timo.

In: Journal of Materials Chemistry A, Vol. 4, No. 14, 2016, p. 5176-5183.

Research output: Contribution to journalArticle

Zuluaga, S, Fuentes-Fernandez, EMA, Tan, K, Xu, F, Li, J, Chabal, YJ & Thonhauser, T 2016, 'Understanding and controlling water stability of MOF-74', Journal of Materials Chemistry A, vol. 4, no. 14, pp. 5176-5183. https://doi.org/10.1039/c5ta10416e
Zuluaga S, Fuentes-Fernandez EMA, Tan K, Xu F, Li J, Chabal YJ et al. Understanding and controlling water stability of MOF-74. Journal of Materials Chemistry A. 2016;4(14):5176-5183. https://doi.org/10.1039/c5ta10416e
Zuluaga, Sebastian ; Fuentes-Fernandez, Erika M A ; Tan, Kui ; Xu, Feng ; Li, Jing ; Chabal, Yves J. ; Thonhauser, Timo. / Understanding and controlling water stability of MOF-74. In: Journal of Materials Chemistry A. 2016 ; Vol. 4, No. 14. pp. 5176-5183.
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