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.
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).
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)
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