Prof Nora de Leeuw

Computational

Prof Nora de Leeuw

Address: Department of Chemistry, UCL
Phone No: +44 (0)20 7679 1015
Fax No: +44 (0)20 7679 7463
Extension: 21025
Nora de Leeuw


Research areas of interest include:

  • Computer modelling of bio-materials
  • Surface structures and reactivity
  • Crystal nucleation, growth, dissolution and growth inhibition
  • Metal-Ionic interfaces and thin films Mineral separation processes 

Summary

Nora de Leeuw Research Image

We develop and apply quantitative computational techniques to investigate at the atomic level structure/property relationships in a range of natural minerals and functional materials. Present research areas include 1) precious metal and transition-metal oxide surfaces for selective oxidation catalysis; 2) radiation damage in geological materials; 3) nucleation and growth of metal and metal-oxide nano-clusters; and 4) materials for bio-medical engineering.

Research Profile

Selected Publications

  1. N.H. de Leeuw, Resisting the onset of hydroxy-apatite dissolution through the incorporation of fluoride, J. Phys. Chem. B 108 , 1809 (2004)
  2. R. Grau-Crespo, N.H. de Leeuw, C.R.A. Catlow, The distribution of cations in FeSbO 4 : A DFT study, Chem. Mater. 16 , 1954 (2004)
  3. N.H. de Leeuw, C.J. Nelson, C.R.A. Catlow, P. Sautet and W. Dong, Density Functional Theory calculations of the adsorption of chlorine at perfect and defective silver (111) surfaces, Phys. Rev. B 69 , 045419 (2004)
  4. Z. Du and N.H. de Leeuw, A combined density functional theory and interatomic potential-based simulation study of the hydration of nano-particulate silicate surfaces, Surf. Sci 554 , 193 (2004)
  5. T.G. Cooper and N.H. de Leeuw, A computer modelling study of the competitive adsorption of water and organic surfactants at surfaces of the mineral scheelite, Langmuir 20 , 3984 (2004) 

All Publications

  • BSc(Hons) Chemistry with Physics 1994. Open University
  • PhD 1997. School of Chemistry , University of Bath . Title of thesis "Atomistic Simulation of the Structure and Stability of Hydrated Mineral Surfaces" Supervisor, Professor Steve Parker
  • 1997 - 2000. Postdoctoral Research Fellow. School of Chemistry , University of Bath
  • 2000 - 2002. Lecturer in Physical Chemistry, Department of Chemistry, University of Reading
  • 2002 - 2007. EPSRC Advanced Research Fellow, School of Crystallography , Birkbeck College London
  • 2004 - present. Reader of Computational Materials Science