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Dopant-surface interactions in silicon nanoclusters (SiNanoTune)
Start date: Jan 1, 2011, End date: Dec 31, 2012 PROJECT  FINISHED 

Silicon nanostructured films are promising materials for photovoltaic applications. By exploring confinement effects and changing the surface morphology, it is possible to vary the optical absorption threshold energy without the resource to different semiconductors. However, to exploit the potential of this class of materials, it is necessary to achieve a detailed understanding and control of n- and p-type doping. Here, a study of the interaction of dopant atoms with the surface of stand-alone silicon clusters is proposed. The investigation will be carried out using density functional theory electronic structure calculations, and observable properties will be applied to the interpretation of experimental results. The aim is to find the combination of dopant species, surface passivation and post-processing treatments that leads to optimum n- and p-type doping efficiency.
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