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Theoretical investigation on optical characteristics of functionalised silicon quantum dots

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


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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.

Publication metadata

Author(s): Ahmed ME, Goss JP, Eyre RJ, Briddon PR, Taylforth MA

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: Nanotech

Year of Conference: 2010

Pages: 556-559

Publisher: NSTI

Series Title: NSTI Technical Proceedings