| EPSRC Reference: |
GR/L41141/01 |
| Title: |
A STUDY OF CATALYSIS FROM FIRST PRINCIPLE |
| Principal Investigator: |
Hu, Professor P |
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| Department: |
Sch of Chemistry and Chemical Eng |
| Organisation: |
Queen's University of Belfast |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 1997 |
Ends: |
30 September 2000 |
Value (£): |
52,786
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| EPSRC Research Topic Classifications: |
| Catalysis & Applied Catalysis |
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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It has been estimated that 20~30% of GNP is generated through catalytic processes. Despite its importance, catalysis is still the subject of much speculation. Further advances in catalysis require a detailed understanding of catalytic reactions on the atomic scale. Recent studies have shown that a new theoretical approach, ab initio total energy calculations, is now possible to address problems in catalysis. We propose the exploitation of the new approach for catalysis. One of the obvious advances of this approach is that the electronic structures of catalytic systems can be examined with little uncertainty, which is absolutely crucial for understanding bondbreaking and bondmaking in catalytic processes. There has been great concern environmental pollution in the last few decades and automobile exhaust catalysis. Firstly, by performing a series of calculations for the catalytic reactions on different surfaces, we should obtain useful information to improve the existing catalysts or to invent new catalysts. Secondly, we aim at improving the existing theories of catalysis or finding new theories. We expect that the future work in this field will have an enormous impact on both science and technology.
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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.qub.ac.uk |