Lookup NU author(s): Dr Jon Goss,
Professor Patrick Briddon,
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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.
Author(s): Ahmed ME, Goss JP, Eyre RJ, Briddon PR, Taylforth MA
Publication type: Conference Proceedings (inc. Abstract)
Conference Name: Nanotech
Year of Conference: 2010
Series Title: NSTI Technical Proceedings