| EPSRC Reference: |
GR/M95530/01 |
| Title: |
COMPUTATIONAL AND X-RAY ABSORPTION STUDIES OF OXIDE CATHODE MATERIALS FOR LITHIUM BATTERIES |
| Principal Investigator: |
Islam, Professor S |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Health and Medical Sciences |
| Organisation: |
University of Surrey |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 November 2000 |
Ends: |
31 October 2003 |
Value (£): |
125,569
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| EPSRC Research Topic Classifications: |
| Energy Storage |
Fuel Cell Technologies |
| Materials Characterisation |
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| EPSRC Industrial Sector Classifications: |
| Electronics |
No relevance to Underpinning Sectors |
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| Panel History: |
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Summary on Grant Application Form |
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The proposed project will build on previous success with a combined programme of computational and structural studies of manganese-based oxides, which are receiving considerable attention as new cathode materials for lithium battery applications. The collaborative project will investigate some of the central issues in current research, establishing three main themes. The first concerns detailed atomistic and molecular dynamics (MD) simulations (based at Surrey) of the defect structure, the effects of doping and the lithium diffusion mechanisms in the target materials, LixMn02 and Li2Amn308 (a=Fe,Co). Second, materials synthesis and Exafs studies will be carried out (at Kent and Daresbury) in conjunction with the computational work to elucidate the sites and local structures of the dopant ions. Finally, quantum mechanical (QM) methods will be used (at Imperial and Surrey) to investigate the electronic properties of the Mn-based oxides and to correlate the lithium insertion energetics with the cell voltages. This powerful synergy of atomistic simulation, QM and structural techniques offers the prospect of throwing new light on the factors controlling the properties of these important materials for lithium batteries. In many instances, our project will be the first study of this type.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.surrey.ac.uk |