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Details of Grant 

EPSRC Reference: GR/S55507/02
Title: Combined Modelling,Structural and Transport Studies of Proton-Conducting Metal Oxides
Principal Investigator: Islam, Professor S
Other Investigators:
Slater, Professor P Lord, Dr J
Researcher Co-Investigators:
Project Partners:
Department: Chemistry
Organisation: University of Bath
Scheme: Standard Research (Pre-FEC)
Starts: 01 January 2006 Ends: 31 March 2007 Value (£): 77,117
EPSRC Research Topic Classifications:
Fuel Cell Technologies Materials Characterisation
Materials Synthesis & Growth
EPSRC Industrial Sector Classifications:
Electronics
Related Grants:
Panel History:  
Summary on Grant Application Form
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.
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Further Information:  
Organisation Website: http://www.bath.ac.uk