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Structure Modeling of Co-Encapsulated PPI Dendrimer

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Abstract:

Co-encapsulated PPI dendrimer with 64 functional groups (G5-generation) on periphery was synthesized. The modeled PPI dendrimer-like structure composed of 4 and 6 terminal flexible chains displays empty spaces between chains on periphery. Obtained occupation area on periphery is 1.0–3.0 nm2 where could be most probable location place of Co nanoparticle. The modeled structure displays that periphery of the PPI dendrimer is rich of oxygen atoms. The influence of oxygen on the stability of Co2Om and Co6Om (m = 1–7) clusters were studied. Calculations results demonstrate that higher oxidation rate enhances the stability of Co–O clusters.

Keywords: CO-O NANOCLUSTERS; DENDRIMER STRUCTURE; MODELING; OXIDATION

Document Type: Research Article

DOI: https://doi.org/10.1166/jnn.2010.2631

Publication date: 2010-10-01

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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