Slanina Z., Nagase S.
Institute for Molecular Science, JP
Keywords: Gibbs energy, metallofullerenes, nanoscience applications, stability evaluation
The objects of fullerene science – fullerenes, metallofullerenes & other fullerene endohedrals, and nanotubes – represent promising candidates for nanoscience and nanotechnology applications. The emerging concepts are illustrated on C74-based endohedrals, especially Ca@C74, Sr@C74, and Ba@C74. A set of six C74 cages is considered. Special interest is paid to the enthalpy-entropy evaluations for estimations of the relative as well as absolute populations.
Journal: TechConnect Briefs
Volume: 1, Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1
Published: May 20, 2007
Pages: 489 - 492
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation
ISBN: 1-4200-6182-8