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Cluster solvation models of carbon nanostructures: extension to fullerenes, tubes, and buds

  • Francisco Torrens
  • Gloria Castellano
Original Paper
Part of the following topical collections:
  1. Topical Collection QUITEL 2013

Abstract

Carbon nanobud (CNB), a hybrid material consisting of single-wall C-nanotubes (CNTs) (SWNTs) with covalently attached fullerenes, in cluster form is discussed in organic solvents. Theories are developed based on bundlet and droplet models describing size-distribution functions. Phenomena present a unified explanation in bundlet model in which free energy of CNBs involved in cluster is combined from two parts: a volume one proportional to the number of molecules n in aggregate and a surface one, to n 1/2. Bundlet model enables describing distribution function of CNB clusters by size. From purely geometrical considerations bundlet (SWNT/CNB) and droplet (fullerene) models predict dissimilar behaviors. Interaction-energy parameters of CNBs are taken from C60. A C60/SWNT in-between behavior is expected; however, properties of CNBs result closer to SWNTs. Smaller CNB clusters result less stable but greater ones are more stable than SWNT bundles. The solubility decays with temperature result smaller for SWNT/CNB than C60 in agreement with lower number of units in aggregates. Discrepancy between the experimental data of heat of solution of fullerenes and CNT/CNBs is ascribed to sharp concentration dependence of heat of solution. Diffusion coefficient decays with temperature and results greater for CNB than SWNT or C60. Clusters (C60)13 and SWNT/CNB7 are representative of droplet and bundlet models.

Figure

Cluster solvation models of carbon nanostructures: extension to fullerenes, tubes, and buds

Keywords

Bundlet cluster model Droplet cluster model Fullerene Nanostructure Nanotube Solubility of carbon nanobud 

Notes

Acknowledgments

The authors want to dedicate this manuscript to Dr. Luis Serrano-Andrés, who was greatly interested in this research and would have loved to see its conclusion.

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Copyright information

© Springer-Verlag Berlin Heidelberg 2014

Authors and Affiliations

  1. 1.Institut Universitari de Ciència MolecularUniversitat de València, Edifici d’Instituts de PaternaValènciaSpain
  2. 2.Facultad de Veterinaria y Ciencias ExperimentalesUniversidad Católica de Valencia San Vicente MártirValènciaSpain

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