Investigating catalytic activity at oxide surfaces using a QM/MM methodology

A set of complementary studies has been undertaken to investigate the interaction of CO2 with metal oxide surfaces. Beginning with the simple and well-studied magnesium oxide surface, work progressed to include a manganese dopant near the MgO active site before shifting to manganese oxide. All work...

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Bibliographic Details
Main Author: Downing, C. A.
Published: University College London (University of London) 2015
Subjects:
540
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.654695