| EPSRC Reference: |
GR/J37522/01 |
| Title: |
CATALYSIS BY DESIGN: AB INITIO MOLECULAR DYNAMICS AT EXTENDED METAL SURFACES |
| Principal Investigator: |
King, Professor Sir D |
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| Department: |
Chemistry |
| Organisation: |
University of Cambridge |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
16 December 1993 |
Ends: |
15 December 1995 |
Value (£): |
88,664
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Summary on Grant Application Form |
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A new accurate fully ab initio molecular dynamics computer simulation program will be adapted and exploited to study adsorption phenomena on metal single crystals, including:(i) adsorbate configuration; phase transitions and diffusion; (ii) catalytic reactions on surfaces; and(iii) the dynamics of chemisorption from gas phase/surface collisions.
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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.cam.ac.uk |