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Nanoporous materials
Zeolites, aluminosilicate framework materials have widespread usage in technological applications, particularly in the petrochemical area where they are used to filter isomers and as catalysts in methanol to gas conversion for example. We are working to try and understand the fundamental mechanisms by which these materials assemble and to better characterise surface membrane structures and properties. Ab-initio methods are used to model germinal stages of crystal growth where small oligomeric species polymerise and dissolve in a delicate nucleation process. Electronic structure and pair potential approaches are used to understand the reaction of solution species at the growing crystal face and the influence of structure directing agents on rate of growth. More recently we have initiated work to try and elucidate the surface structure of Metal Organic Framework materials.
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