Combined Modelling,Structural and Transport Studies of Proton-Conducting Metal Oxides

Completed

Not Energy Related
Hydrogen and Fuel Cells(Fuel Cells)

Basic and strategic applied research

PHYSICAL SCIENCES AND MATHEMATICS (Chemistry)
PHYSICAL SCIENCES AND MATHEMATICS (Physics)

Not Cross-cutting

Professor S Islam
Materials
University of Oxford

Standard

EPSRC

01 January 2006

31 March 2007

15 months

£77,117

Materials sciences

South East

Electronic Materials -- Physical Sciences

Professor S Islam, Materials, University of Oxford

Dr J Lord, ISIS Pulsed Neutron & Muon Source, STFC (Science & Technology Facilities Council)
Dr P Slater, School of Chemistry, University of Birmingham

The proposed project w111 build upon previous success (and experience) with a combined programme of computational, conductivity and muon studies of the perovskite-type oxides BaM03 (M = Zr, Pr,Th) and Ba2M'04 (M = Zr, Sri, INSb), some of which are receiving considerable attention as new proton conducting materials for fuel cell applications. The new interdisciplinary project will establish three main themes. The first concerns detailed simulation studies (based at Surrey) of the defect structure, the effects of doping and water incorporation in the target materials. Second, materials synthesis, conductivity and muon studies will be carried out (at Surrey and ISIS) in conjunction with the simulations to elucidate the structure and dynamics of proton behaviour. Finally, quantum mechanical techniques will be used (at Surrey) to examine, for the first time, the mechanism and energetics of proton migration in these complex oxides. This powerful synergy between simulation and experimental techniques will provide fresh insight into these important solid-state materials. Our considerable experience and past success in ion transport studies places us in a strong position to address key issues. In many instances, our project will be the first investigation of this type

01/01/07