| EPSRC Reference: |
GR/A11519/01 |
| Title: |
AF:STRUCTURE & CONDUCTION OF ATOMIC & MOLECULAR WIRES ON SURFACES USING ELECTRONIC TECHNIQUES |
| Principal Investigator: |
Bowler, Professor DR |
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| Department: |
Physics and Astronomy |
| Organisation: |
UCL |
| Scheme: |
Advanced Fellowship (Pre-FEC) |
| Starts: |
01 October 2001 |
Ends: |
30 September 2006 |
Value (£): |
225,570
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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Understanding the electronic structure and conduction properties of nanoelectronic structures (such as atomic-scale and molecular wires) in the presence of a current is a vital step towards developing useful nanotechnology. In this proposal, the ability to model open systems (i.e. systems with a current flowing through them) will be developed within ab initio and semi-empirical electronic structure techniques. Working with an existing, powerful code (Conquest), the ability to treat isolated non-periodic systems, first at zero bias and later under a voltage, will be implemented. This will then be applied to understanding the structure and conduction of atomic-scale and molecular wires on semiconductor surfaces. Atomic-scale wires are being studied both for their potential applications in nanotechnology and for their ability to confine electrons in two dimensions; two particularly interesting candidates have been identified and will be studied at an early stage: the dangling bond wire on Si(001) and the Bi nanoline in Si(001). As further systems are identified, the focus of the project will shift to them. Molecular wires are equally interesting, but offer different possibilities both for manufacture and in their properties. Once a well-studied system (benzene dithiolates) has been modelled to validate methods, conduction in cyclo-dextrin polymer inclusion complexes and in proteins will be studied. The key results of this project will include a new understanding and ability to model conduction in atomic-scale wires on surfaces, and the ability to understand general open system problems using electronic structure techniques
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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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