Ab Initio study of functionalized 1 nm silicon nanoparticles

  1. Lookup NU author(s)
  2. Dr Jonathan Goss
  3. Richard Eyre
  4. Professor Patrick Briddon
  5. Mark Taylforth
Author(s)Ahmed ME, Goss JP, Eyre RJ, Briddon PR, Taylforth MA
Editor(s)
Publication type Conference Proceedings (inc. Abstract)
Conference NameJournal of Physics: Conference Series, Quantum Dot
Conference LocationNotthingham, UK
Year of Conference2010
Date26–30 April 2010
Volume245 (1)
Pages012046
ISBN17426596
Full text for this publication is not currently held within this repository. Alternative links are provided below where available.
Functionalization of silicon nanoclusters reveals electronic and optical phenomena that can be utilized in a range of applications, including optical sensing, biological imaging and optoelectronic devices. Using density functional theory calculations, light-absorption and luminescence processes are modelled at the quantum mechanical level. In this study, a number of chemical functional groups are attached to the surface of silicon quantum dots (Si-QDs) of ~1nm diameter via either C4H8 or C8H16 alkane chains. In these results, the impact of the functional groups upon the electronic structure and optical absorption spectra of composite systems depend upon the chemical nature of the functional group and the alkane chain length.
PublisherInstitute of Physics Publishing Ltd.
URLhttp://dx.doi.org/10.1088/1742-6596/245/1/012046
DOI10.1088/1742-6596/245/1/012046
ActionsLink to this publication
Library holdingsSearch Newcastle University Library for this item