| EPSRC Reference: |
GR/A11458/01 |
| Title: |
AF:ELECTRONIC STRUCTURE, PHYSICAL PROPERTIES & CHEMICAL REACTIVITY OF TRANSITION METAL BEARING OXIDES |
| Principal Investigator: |
Cora, Dr F |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
Davy Faraday Research Laboratory |
| Organisation: |
Royal Institution of Great Britain |
| Scheme: |
Advanced Fellowship (Pre-FEC) |
| Starts: |
01 October 2001 |
Ends: |
31 July 2005 |
Value (£): |
251,970
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| EPSRC Research Topic Classifications: |
| Materials Characterisation |
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Summary on Grant Application Form |
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The central theme of my project is to develop, parameterise, test and then apply a combined set of ab-initio and parametric Quantum-Mechanical techniques, to investigate the electronic structure, physical properties and chemical reactivity of oxides containing transition metal ions.In particular, I shall investigate the role of the defect and surface/interfacial chemistry in determining the materials properties; the ultimate goal of modelling will be to provide guidance and predictions for the design of new materials which display the desired physico-chemical properties.Key industrial applications will be examined, such as rechargeable batteries, electrochromic devices, non-volatile ferroelectric computer memories and heterogeneous catalysis. All these applications exploit the electronic properties of transition metal oxides. The approach proposed, which is based on a common Quantum-Mechanical characterisation to investigate a diverse range of applications of these compounds, favours the interdisciplinarity of research, and tries to maximise the transfer of knowledge among all the areas of science involved.
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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.rigb.org |