Dr Furio Cora
Computational & Materials and Inorganic Chemistry
Dr Furio Cora
Address: Rm 125, Department of Chemistry, UCL
Phone No: +44 (0)20 7679 7482
Fax No: +44 (0)20 7679 7463
Research areas of interest include:
- Computational solid state chemistry
- Transition metal oxides
- Functional Materials
- Zeolites and AlPOs
- Surface Chemistry and Catalysis
Our work examines computationally the properties of crystalline solids; the main areas of research cover the functional behaviour of transition metal bearing compounds, and the synthesis and catalytic activity of doped nanoporous solids. We are also interested in applying computational methods to related areas, when unusual behaviour is observed experimentally that would benefit from the atomic-level insight enabled by modelling. From a methodological perspective, we address the performance of hybrid density functionals to study structural and electronic properties of solids.
- R.W. Dorner, M.K. Deifallah, D.S. Coombes, C.R.A. Catlow and F. Corà, 'Synthesis and structure-determination of a novel layered AlPO material', Chem. Mater.19 (2007) 2261.
- M.A. Zwijnenburg, F. Corà, R.G. Bell, 'On the performance of DFT and interatomic potentials in predicting the energetics of siliceous materials', J. Phys. Chem. B, 111 (2007) 6156.
- L. Gomez-Hortiguela, F. Corà, J. Perez-Pariente, ‘Supramolecular assemblies of fluoro-aromatic organic molecules as structure-directing agents of microporous materials’, Microp. Mesop. Mater. (2007); doi:10.1016/j.micromeso.2007.05.049
- M.Alfredsson, F.Corà, D.P. Dobson, J. Davy, J.P.Brodholt, S.C.Parker and G.D.Price, ‘Dopant control over the crystal morphology of Ceramic Materials’, Surf. Sci.,(2007) doi:10.1016/j.susc.2007.07.025
- M.A. Zwijnenburg, F. Corà, R.G. Bell, 'Dramatic differences between the energy landscapes of SiO2 and SiS2 zeotype materials', J. Am. Chem. Soc. 129 (2007) 12588.