Understanding Catalysis in Silicates from First Principles

Julian D. Gale$^\dag$, Rajiv Shah$^\ddag$, Michael C. Payne$^\ddag$, Ivan Stich$^\S$ & Eric Sandre$^\ddag$
Department of Chemistry, Imperial College, South Kensington, SW7 2AY, U.K.
Cavendish Laboratory (TCM), University of Cambridge, Madingley Road, Cambridge CB3 0HE, U.K.
§Department of Physics, Slovak Technical University, Ilkovicova 3, SK-812 19, Bratislava, Slovakia.
e-mail: j.gale@ic.ac.uk