| EPSRC Reference: |
GR/L98480/01 |
| Title: |
DYNAMICAL PROCESSES AT HETEROGENEOUS SURFACES |
| Principal Investigator: |
Hodgson, Professor A |
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| Department: |
Surface Science (IRC) |
| Organisation: |
University of Liverpool |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 December 1998 |
Ends: |
31 July 2002 |
Value (£): |
279,174
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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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We will combine detailed dynamical calculations with experimental measurements to explore the influence of coadsorption and surface alloying on the dissociation dynamics of a few key model systems. By comparing classical and quantum scattering calculations on accurate, ab initio potential energy surfaces with detailed state resolved adsorption -desorption measurements, we will explore the effect of changes to the electronic structure induced by heterogeneous species. The competing influence of absorbate stabilisation, site blocking and modification of the long range potential will be explored to understand the overall behaviour of S, O and alkali coadsorption. We will seek to establish general correlations between modification of the electronic structure, the resulting potential energy surface and the consequent dissociation dynamics. In particular, we will look for modification of the steering behaviour and enhancement or poisoning of low energy channels for absorption and desorption of N2, H2 and polar molecules such as NH3. Such dynamic effects, arising from the multidimensional form of the PES, are expected to explain why for many systems, such as H2 dissociation on alkali precovered surfaces, reactivity does not simply mirror the energetics of dissociation but demands a dynamical interpretation.
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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.liv.ac.uk |