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Enhanced CO2 Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules
Abstract
CO 2 is one of the most important greenhouse gases and its removal from flue gas and natural gas has become increasingly important. We report an interesting discovery in which the CO 2 uptake and its selectivity over N 2 and CH 4 in the metal-organic framework (MOF) Cu-BTC were significantly increased by the presence of water molecules coordinated to open-metal sites in the framework. This was first predicted by molecular simulations and later validated by experiments. A detailed analysis of simulation data revealed that interaction between the quadrupole moment of CO 2 and the electric field created by water molecules is responsible for the enhanced CO 2 uptake. These findings could open new possibilities for tuning the adsorption behavior of MOFs for CO 2 capture and other applications.
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Cites
Millward, A. R., & Yaghi, O. M. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0570032 · Cited by 2,876
Adsorbents: Fundamentals and Applications
Yang, R. T. (2003) · doi:10.1002/047144409x · Cited by 1,182
Cited by
Metal–Organic Frameworks for Separations
Li, J.-R., Sculley, J., & Zhou, H.-C. (2012) · Chemical Reviews · doi:10.1021/cr200190s · Cited by 6,323
Carbon Dioxide Capture: Prospects for New Materials
D'Alessandro, D. M., Smit, B., & Long, J. R. (2010) · Angewandte Chemie International Edition · doi:10.1002/anie.201000431 · Cited by 4,046
Water Stability and Adsorption in Metal–Organic Frameworks
Burtch, N. C., Jasuja, H., & Walton, K. S. (2014) · Chemical Reviews · doi:10.1021/cr5002589 · Cited by 2,730
Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
Nugent, P., Belmabkhout, Y., Burd, S. D., Cairns, A. J., Luebke, R., Forrest, K., Pham, T., Ma, S., Space, B., Wojtas, L., et al. (2013) · Nature · doi:10.1038/nature11893 · Cited by 2,387
Post-Combustion CO 2 Capture Using Solid Sorbents: A Review
Samanta, A., Zhao, A., Shimizu, G. K. H., Sarkar, P., & Gupta, R. (2012) · Industrial & Engineering Chemistry Research · doi:10.1021/ie200686q · Cited by 1,889
Metadata
- Authors
- Yazaydın, A. Ö., Benin, A. I., Faheem, S. A., Jakubczak, P., Low, J. J., Willis, R. R., & Snurr, R. Q.
- Venue
- Chemistry of Materials
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-03-18
- Volume
- 21
- Issue
- 8
- Pages
- 1425-1430
- ISSN
- 0897-4756 (ISSN-L)
- 1520-5002
- OpenAlex
- W1968876938
- Cited by
- 588
- References
- 2
- FWCI
- 24.17
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
