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Projects: Projects for Investigator
Reference Number GR/S55507/01
Title Combined Modelling,Structural and Transport Studies of Proton-Conducting Metal Oxides
Status Completed
Energy Categories Hydrogen and Fuel Cells(Fuel Cells) 100%;
Research Types Basic and strategic applied research 100%
Science and Technology Fields PHYSICAL SCIENCES AND MATHEMATICS (Chemistry) 80%;
PHYSICAL SCIENCES AND MATHEMATICS (Physics) 20%;
UKERC Cross Cutting Characterisation Not Cross-cutting 100%
Principal Investigator Professor S Islam
Materials
University of Oxford
Award Type Standard
Funding Source EPSRC
Start Date 01 March 2004
End Date 30 December 2005
Duration 22 months
Total Grant Value £178,017
Industrial Sectors Materials sciences
Region South East
Programme Ionic Materials -- Physical Sciences
 
Investigators Principal Investigator Professor S Islam , Materials, University of Oxford
  Other Investigator Dr J Lord , ISIS Pulsed Neutron & Muon Source, STFC (Science & Technology Facilities Council)
Dr P Slater , School of Chemistry, University of Birmingham
Web Site
Objectives
Abstract 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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Added to Database 01/01/07