Structure modeling of Co-encapsulated PPI dendrimer

Please use this identifier to cite or link to this item:https://hdl.handle.net/20.500.12259/95810

Type of publication:	Straipsnis Clarivate Analytics Web of Science ar/ir Scopus / Article in Clarivate Analytics Web of Science or / and Scopus (S1)
Field of Science:	Fizika / Physics (N002)
Author(s):	Tamulienė, Jelena;Franckevičius, Marius;Kulbickas, Augustinas;Rastenienė, Loreta;Vaišnoras, Donatas Rimantas;Badenes, G
Title:	Structure modeling of Co-encapsulated PPI dendrimer
Is part of:	Journal of nanoscience and nanotechnology. , Vol. 10, iss. 10 (2010)
Extent:	p. 6407-6410
Date:	2010
Keywords:	Dendrimer structure;Co-O nanocluster;Modeling;Oxidation
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-0 clusters
Internet:	https://hdl.handle.net/20.500.12259/95810
Affiliation(s):	Vytauto Didžiojo universitetas Švietimo akademija
Appears in Collections:	Universiteto mokslo publikacijos / University Research Publications

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