First principles studies of water and ice on oxide surfaces

The interaction of water (and ice) with oxide surfaces has been studied with first principles density functional theory. To begin, an extensive series of studies on the clay mineral kaolinite (Al_2Si_2O_5(OH)_4) are reported with a view to understanding the efficacy of kaolinite as a heterogeneous i...

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Bibliographic Details
Main Author: Hu, X.
Published: University College London (University of London) 2010
Subjects:
540
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.564900