University College London - Gower Street - London - WC1E 6BT

Interfaces: Catalytic & Environmental - ICE group
Prof. Angelos Michaelides
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About the ICE Group

Our research involves computer simulations of catalytic and environmental interfaces, aiming at reaching fundamental new understanding of elementary processes at such interfaces. Water is a major focus of our work. We are part of the London Centre for Nanotechnology, Department of Chemistry at UCL, and the Thomas Young Centre, and we often work closely with other theoretical and experimental groups throughout Europe and beyond.

Ice Group Dec 2014

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Simulation Highlight (More)

Atomistic details of copper oxide surfaces and surface oxidation

The oxidation and corrosion of metals are issues which affect many of our everyday objects, from water pipes to electronic devices. Copper is one of the most studied metals and it has become a model to understand oxidation and corrosion. In this review we show that now now have a good atomistic understanding of the physical characteristics of copper oxides and of some key processes of their formation . However a number of challenges remain. Read more ...

For more information see Surface Science Reports 70, 424 (2015).

Recent Publications (More)

M. Ma, G. Tocci, A. Michaelides and G. Aeppli Fast diffusion of water nanodroplets on graphene Nature Materials , (2015)

M. Fitzner, G. C. Sosso, S. J. Cox and A. Michaelides The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity J. Am. Chem. Soc. 137, 13658 (2015)

M. Rossi, W. Fang and A. Michaelides Stability of Complex Biomolecular Structures: van der Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects J. Phys. Chem. Lett. 6, 4233 (2015)

A. Michaelides, T. J. Martinez, A. Alavi, G. Kresse and F. R. Manby Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces J. Chem. Phys. 143, 102601 (2015)

C. Gattinoni and A. Michaelides Atomistic details of oxide surfaces and surface oxidation: the example of copper and its oxides Surface Science Reports 70, 424 (2015)

A. Pronschinske, P. Pedevilla, C. J. Murphy, E. A. Lweis, F. R. Lucci, G. Brown, G. Pappas, A. Michaelides and E. C. H. Sykes Enhancement of low-energy electron emission in 2D radioactive films Nature Materials 14, 904 (2015)

S. J. Cox, S. M. Kathmann, B. Slater and A. Michaelides Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity J. Chem. Phys. 142, 184704 (2015)

Contact the ICE group (more)

Group leader
Prof. Angelos Michaelides

University College London
London Centre for Nanotechnology
17-19 Gordron Street London, WC1H 0AH
Tel: +44 (0) 207 679 0647 (Ext: 30647)

University College London - Gower Street - London - WC1E 6BT. Telephone: +44 (0)20 7679 2000 - Copyright © 1999-2015 UCL

This page was last modified on 23rd Oct, 2014 by Wei Fang