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Water ice is the most plentiful mineral on earth yet its bulk and surface structure under atmospheric conditions is not especially well characterised. The surface of ice phases in the upper atmosphere and beyond our planet plays a crucial role in catalytic production of ozone destroying radicals and amino acids respectively but the mechanism by which these processes occur remains elusive. The phenomenon of proton ordering and disordering is important in understanding the structure of 14 known ice phases and hence their surface structures, and is investigated in our group principally with plane wave, localised orbital and combination plane wave/local orbital electronic structure methods.
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