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Details of Grant 

EPSRC Reference: GR/R03822/01
Title: Measurement and Modelling of Nanoscale Bonding At Interfaces & Surfaces: Engineering Materials Applications
Principal Investigator: Brydson, Professor RMD
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department: Institute of Materials Research
Organisation: University of Leeds
Scheme: Standard Research (Pre-FEC)
Starts: 01 February 2001 Ends: 31 October 2004 Value (£): 211,464
EPSRC Research Topic Classifications:
Materials Characterisation Surfaces & Interfaces
EPSRC Industrial Sector Classifications:
Manufacturing
Related Grants:
Panel History:  
Summary on Grant Application Form
This proposal presents the case for the experimental investigation and extension of accurate electronic structure calculations of both valence and conductive band states to non-periodic systems such as internal interfaces, defects and surfaces relevant to a number of key materials systems. In recent years, systematic investigation and refinement of current electronic modelling procedures on periodic, bulk crystalline systems has taken place and this, combined with recent advances in high performance computing power, now opens up the possibility of studying the local electronic structure in more complicated systems of technological significance. Experimental determinations of local unoccupied electronic structures will be undertaken by measurement of electron energy loss near-edge structures (ELNES) measured by parallel electron energy loss spectroscopy (PEELS) in a field emission transmission electron microscope (FEGTEM), while surface occupied electronic structures will be accessed by photoelectron spectroscopy (UPS/XPS) measurements. More accurate modelling of such spectra will have important implications for the detailed interpretation and extraction of chemical and structural information for the purpose of characterisation of materials at high spatial resolution. Improvements in both measurement and modelling of applied systems are vital if a more detailed and less empirical understanding of processing-microstructure-property relationships is to be achieved.
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Organisation Website: http://www.leeds.ac.uk