| EPSRC Reference: |
GR/R57584/01 |
| Title: |
Ionic Materials: Computer Simulation Studies |
| Principal Investigator: |
Madden, Professor PA |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Oxford Chemistry |
| Organisation: |
University of Oxford |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 2001 |
Ends: |
30 September 2004 |
Value (£): |
179,575
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| EPSRC Research Topic Classifications: |
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| Chemicals |
No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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The research will involve electronic structure calculations for the further development of the AIM simulation method to oxides and also to develop a model for the dependence of the nuclear quadrupole coupling constant on the local co-ordination environment. Computer simulation studies will be usedto probe the structure and properties of molten salts as interfaces and also the effect of particle size on surface structure and on phase transformations in ionic nanoparticles.
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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.ox.ac.uk |