| EPSRC Reference: |
GR/R02177/01 |
| Title: |
Theoretical Studies of Light Emitting Polymers |
| Principal Investigator: |
Barford, Professor W |
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| Department: |
Physics and Astronomy |
| Organisation: |
University of Sheffield |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
30 April 2001 |
Ends: |
29 April 2004 |
Value (£): |
115,668
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Summary on Grant Application Form |
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The purpose of this application is for a PDRA and a work station to perform a number of calculations to better understand the optical properties of the technologically important phenyl-based light emitting polymers. The density matrix renormalisation group method will be employed to study their electronic structure, lattice relaxation and non-linear optical properties.Accurate calculations, using the Pariser-Parr-People model with electron-lattice coupling, of the absorption bands of PPP, PFO and PPC oligomers will be made. Polaron formation and self-trapping, exciton binding energies, and non-linear optical spectroscopies will be investigated. Coupled chain calculations will be performed, to model excimer formation, exicton transfer and dissociation, and to provide an estimate of the three dimensional coulomb screening of the band states.This combination of a realistic semi-empirical model and an accurate computational technique means that we are now able to perform numerical experiments which both truly reflect the electronic energies of real systems, and help us to explore the competing processes which determine these energies. This understanding is intended to guide the strong British opto-electronic and photonics experimental groups in material design and optimisation.
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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 |
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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.shef.ac.uk |