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Theoretical investigation on optical characteristics of functionalised silicon quantum dots
Lookup NU author(s)
Dr Jonathan Goss
Professor Patrick Briddon
Ahmed ME, Goss JP, Eyre RJ, Briddon PR, Taylforth MA
Conference Proceedings (inc. Abstract)
Anaheim, California, USA
Year of Conference
Source Publication Date
21-24 June 2010
NSTI Technical Proceedings
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Functionalization of Si surfaces at the nanoclusters size is a crucial step that can give a great opportunity to use them in an enormous range of applications, including optical sensing, biological fluorescence imaging and optoelectronic devices. Using density functional theory calculations, light-absorption and luminescence processes are modelled at the quantum mechanical level. Optimized geometries and electronic structures of hydrogenated silicon quantum dots of ~1nm diameter attached to a diversity of chemical functional groups. In-depth characterization of their electronic structure and optical absorption shows that the impact upon the optical properties of the quantum dot depends strongly upon the form of the functional group: in some impartant cases electron states are introduced into the band-gap leading to non-radiative recombination.
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