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Theoretical investigation on optical characteristics of functionalization silicon quantum dots

Lookup NU author(s): Professor Jon Goss, Professor Patrick Briddon, Mark Taylforth


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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.

Publication metadata

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

Pages: 556-559

Publisher: CRC Press

Library holdings: Search Newcastle University Library for this item

ISBN: 9781439834022