Lookup NU author(s): Dr Jon Goss,
Professor Patrick Briddon,
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Functionalization of silicon surfaces at the nanoclusters size, is a crucial improvement 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 ~1 and 1.6 nm diameter attached to a diversity of chemical functional groups are investigated. In-depth characterization of their electronic structure and optical absorption shows that the impact upon the optical properties of the quantum dot depends strongly on the form of the functional group: in some important cases electron states are introduced into the band-gap leading to non-radiative recombination.
Author(s): Ahmed M, Goss J, Eyre R, Briddon P, Taylforth M
Publication type: Conference Proceedings (inc. Abstract)
Publication status: Published
Conference Name: Nanotechnology: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - Technical Proceedings of the 2010 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech
Year of Conference: 2010
Publisher: CRC Press
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