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Dr David Fairen-Jimenez

Dr David Fairen-Jimenez

Royal Society University Research Fellow

European Research Council (ERC) Consolidator Fellow

Office Phone: +44 1223 334785

Research Interests

I am leading the Adsorption & Advanced Materials Lab. Research website can be found here.

Our research concerns the study of the molecular mechanisms that control adsorption processes in porous materials. We are particularly interested in drug delivery systems, where nanotechnology has a fundamental impact to revolutionise cancer diagnosis and therapy. We are also interested in the use of novel porous materials for the necessary shift from today’s fossil-based energy economy to a more sustainable economy based on hydrogen and renewable energy, linked to the carbon capture to mitigate the effects of global warming. Our 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 molecular simulation 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, confocal microscopy, cell cultures, calorimetry, neutron and X-Ray diffraction and small-angle X-Ray scattering.


  • porous media
  • drug delivery
  • adsorption
  • Bio-fuels
  • Simulation
  • carbon capture
  • Sensor

Collaborators outside this directory

  • Johnson Matthey - Johnson Matthey
  • Imperial College London - Imperial College London

Key Publications

For an updated list of publications, please click here

- C.A. Orellana, E.F. Baxter, T. Tian, T.D. Bennett, N.K.H. Slater, A.K. Cheetham, and D. Fairen-Jimenez*. Amorphous metal-organic frameworks for drug delivery. Chem Commun. 2015. Advance Article DOI: 10.1039/C5CC05237H

- T. Tian, J. Velazquez-Garcia, T.D. Bennett and D. Fairen-Jimenez*. Mechanically and chemically robust ZIF-8 monoliths with high volumetric adsorption capacity. J. Mat. Chem. A 2015, 3, 2999-3005

- M. Bernini, D. Fairen-Jimenez,* M. Pasinetti, A.J. Ramirez-Pastor, R.Q. Snurr. Screening of bio-compatible metal–organic frameworks as potential drug carriers using Monte Carlo simulations. J. Mat. Chem. B 2014, 2, 766-774.

- Sokołowski, W. Bury, I. Justyniak, D. Fairen-Jimenez, K. Sołtys, D. Prochowicz, S. Yang, M. Schröder, J. Lewiński. Permanent Porosity Derived From the Self‐Assembly of Highly Luminescent Molecular Zinc Carbonate Nanoclusters. Angewandte Chemie Int. Ed. 2013, 52, 13414-13418.

- 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.

- L. Chen, J. P. S., D. Fairen-Jimenez, C. A. Morrison, S. P. Thompson, P. A. Wright, T. Duren. Elucidating the Breathing of the Metal-Organic Framework MIL-53(Sc) with ab initio Molecular Dynamics Simulations and in situ X-Ray Powder Diffraction Experiments. J. Am. Chem. Soc. 2013, 135, 15763-15773.

- 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, Y. J. Colón, O. K. Farha, Y.-S. Bae, J. T. Hupp and R. Q. Snurr.Understanding Excess Uptake Maxima for Hydrogen Adsorption Isotherms in Frameworks with rht Topology. Chem. Commun. 2012,48, 10496-10498.

- 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.

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