| EPSRC Reference: |
GR/J33289/01 |
| Title: |
MOLECULAR DESIGN AND MODELLING OF OPTICALLY NONLINEAR LANGMUIR BLODGETT FILMS |
| Principal Investigator: |
Clarke, Professor J |
| Other Investigators: |
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| Department: |
Chemistry |
| Organisation: |
UMIST |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
08 February 1994 |
Ends: |
07 August 1997 |
Value (£): |
114,197
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| EPSRC Research Topic Classifications: |
| Materials Characterisation |
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Summary on Grant Application Form |
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The aim is to use molecular modelling to provide fundamental guidance on the optimum design of molecules to form mechanically stable Langmuir-Blodgett films with long range structural coherence and high nonlinear optical activity. Energy minimisation and Monte Carlo simulation will be used to explore how structural properties of candidate films are controlled by intermolecular forces. The structural predictions will then be combined with well established methods to predict the linear and nonlinear optical properties of the films from the molecular polarisabilities and hyperpolarisabilities. These results will be fed back to guide the choice of functional groups and their arrangement in molecules to be used for laboratory preparation of multilayer films. An essential feature of the proposed research is close and interactive collaboration with experimental reserch groups at Cranfield (Professor Ashwell) and at UMIST (Dr Leigh).
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Key Findings |
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Potential use in non-academic contexts |
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Impacts |
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| Description |
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Sectors submitted by the Researcher |
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