Theoretical investigation on optical characteristics of functionalised silicon quantum dots

  1. Lookup NU author(s)
  2. Dr Jon Goss
  3. Richard Eyre
  4. Professor Patrick Briddon
  5. Mark Taylforth
Author(s)Ahmed ME, Goss JP, Eyre RJ, Briddon PR, Taylforth MA
Publication type Conference Proceedings (inc. Abstract)
Conference NameNanotech
Conference LocationAnaheim, California, USA
Year of Conference2010
Source Publication Date21-24 June 2010
Series TitleNSTI 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.