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Dr David Fairen-Jimenez

Dr David Fairen-Jimenez

Royal Society University Research Fellow

Office Phone: 0044 1223 334785



Research Interests

My research concerns the study of the molecular mechanisms that control adsorption processes in porous materials. My objective is to evaluate new strategies in the study of adsorption processes, the study and design of new porous materials such as metal-organic frameworks (MOFs) and to develop new methods in the prediction of their performance.

In our work, we combine computational techniques such as grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations to study adsorption and diffusion phenomena with experimental techniques that include gas adsorption, calorimetry, neutron and X-Ray diffraction and small-angle X-Ray scattering.

Adsorption Technologies. Energy-Efficient Carbon Capture

Predictions on climate change and the threat of global warming have stimulated scientific research into finding means of decreasing CO2 emissions into the atmosphere. Economical, post-combustion CO2 capture  from power-plant flue gas is one of the most important problems in carbon capture and storage (CCS) processes. Adsorption-based separations using membranes and pressure-swing adsorption on a porous material represent a viable and cost-effective alternative to current absorption amine-based technologies because of the milder operating conditions and lower energy demand involved.

This research base of adsorption processes is very generic. Potential use of this technology extends to the energy production and storage area, the development of novel fuel cells and lightweight nanostructured solids for efficient energy storage, capture of warfare and toxic industrial compounds (TICs: xylenes, SO2, etc.), sensors, catalysis and water treatment.

Drug Delivery and Bioimaging

The study of the mechanisms that control drug delivery in porous systems presents a critical importance in medicine, where nanotechnology has the potential to revolutionise cancer diagnosis and therapy. Indeed, a fundamental, yet unresolved, problem in many therapies including cancer treatment resides in the fact that many routinely used drugs present high-level concentration within the first minutes followed by low-levels in the next hours. The efficient delivery of a drug to a designated cell is a challenging bioengineering problem, which benefits extend not only to cancer treatment but also to neurodegenerative diseases such as Alzheimer’s.

Metal-Organic Frameworks

The attention on adsorptive porous materials has turned in the last years to metal–organic frameworks (MOFs), one of the most exciting developments in recent porous-materials science. MOFs present potential applications in many areas, including several promising uses in biomedical and industrial areas of gas separation and storage. The most striking advantage of MOFs over more traditional porous materials, such as zeolites or activated carbons, is the possibility to tune the host / guest interaction by choosing the appropriate building blocks and topologies.


  • Combustion
  • Oil and gas
  • Carbon Capture and Storage
  • Materials
  • Emissions
  • Sensors

Key Publications

- Sokołowski, W. Bury, I. Justyniak, D. Fairen-Jimenez, K. Sołtys, D. Prochowicz, S. Yang, M. Schröder, J. Lewiński. Angewandte Chemie Int. Ed. Accepted. DOI: 10.1002/anie.201306785

- J. E. Mondloch, W. Bury, David Fairen-Jimenez, S. Kwon, E. J. DeMarco, M. H. Weston, A. A. Sarjeant, S. T. Nguyen, P. C. Stair, R. Q. Snurr, O. K. Farha, J. T. Hupp.Vapor-Phase Metalation by Atomic Layer Deposition in a Metal–Organic Framework. J. Am. Chem. Soc. 2013, 135, 10294–10297.

- N. L. Strutt, D. Fairen-Jimenez, J. Iehl, M. B. Lalonde, R. Q. Snurr, O. K. Farha, J. T. Hupp, J. F. Stoddart. Incorporation of an A1/A2-Difunctionalized Pillar[5]arene into a Metal-Organic Framework. J. Am. Chem. Soc. 2012, 134, 17436-17439.

- D. Fairen-Jimenez, S. A. Moggach, M. T. Wharmby, P. A. Wright and T. Düren. Describing Flexibility on ZIF-8: Swing Effect of Imidazolate Rings on SOD topology. J. Am. Chem. Soc. 2011, 133, 8900–8902.