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BOWLER3 |
Correlations between
water fragments on silicon |
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Type |
Theoretical |
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#students |
1 |
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Orientation |
Why is
the scientific problem of interest at all? Polar molecules can show correlations when adsorbed
on surfaces, due to electrostatic interactions. Ammonia, for instance,
forms patches with either linear or zigzag features when adsorbed
on Si(001), and we would like to understand if this is applicable to
water, which might be a useful starting point for growth of TiO2
on Si(001). |
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How |
How is
the research going to shed light on the given problem?. Correlations might improve or worsen reaction of Ti
precursors, and our research will enable us to inform the experimental
researchers of how to best adsorb water for TiO2 growth. |
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What |
What is the specific
thing that the student will do, and how does it fit inside the overall
project? The project will consist of modelling the adsorption
of water on Si(001), and investigating the energetic balance between
different arrangements of molecules. We will use these energies to
create a simplified model of adsorption and interaction, and investigate the
effects of external electric fields on the correlations. |
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The project is based around computational
simulations, and the student will be expected to learn how to use Unix-based
operating systems as well as density functional theory codes. An
interest in computing and computational and/or theoretical physics would be an
advantage. |
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Supervisor |
Dr David Bowler david.bowler@ucl.ac.uk |