Dresden 2009 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 9: Nanoparticles II
CPP 9.3: Vortrag
Montag, 23. März 2009, 14:30–14:45, ZEU 114
The shape of CdSe nanoparticles and its role for their electro-optic properties in hybrid semiconductor-polymer structures — •Farzana Aslam1 and Christian von Ferber2 — 1Department of Mathematics, Statistics and Engineering Sciences, Coventry University, Coventry, United Kingdom — 2Applied Mathematics Research Centre, Coventry University, Coventry, United Kingdom
CdSe nanoparticles due to their electro-optical efficiency play an important role as sensitizers in hybrid semiconductor-polymer structures. Here, we study the electrostatic and structural trends of CdSe nanoparticles using empirical potentials. The electrostatic and structural properties of CdSe nanoparticles are studied as a function of the size, shape, structure and surface of the nanoparticles. We identify trends in the properties of particles that are either approximately spherical, cut along well defined crystal surfaces or short nano-rods. The aspect ratio of these particles has a significant impact on the energy, dipole moment and internal stress. We observe that the choice of the shape in terms of crystal surfaces and aspect ratio strongly affect the number of dangling bonds present on the surface of the nanocrystal, which in turn may determine the photo - generation and sensitization efficiencies. We study systematically both the mean behaviour of randomly grown nanocrystals as well as the limiting cases of crystals with ideal crystal surfaces.