Lic. Sc. Olli Lehtonen
Light emitting silicon nanoclusters have been under intensive investigations during last years and have attracted interest among physicists and chemists alike. Although implementing optoelectronic devices using silicon nanoclusters and integrating them on available IC technologies may not happen in the near future, silicon nano powders containing silicon nanoclusters are already commercially available from many sources.
Despite all the research and many possible applications, the actual mechanism responsible for the strong optical activity of silicon nanoclusters remains unsolved. Furthermore, there is not even complete consensus of the structure of the optically active cluster yet.
In our studies we have investigated optical properties of different silicon nanoclusters computationally using density functional theory and performed benchmarking calculations also at the coupled cluster level using silanes as a model system as for them accurate experimental results are available. We also suggest a novel cluster structure which can be responsible for the bright luminescence observed experimentally.
On osa kokonaisuutta:
Computational Chemistry Day