1. Aggregation of fullerene (C60) nanoparticle: A molecular-dynamic study.
- Author
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Su-Zhen, He, Holger, Merlitz, and Chen-Xu, Wu
- Subjects
FULLERENES ,NANOPARTICLES ,MOLECULAR dynamics ,COUNTER-ions ,CLUSTERING of particles - Abstract
We present the results of molecular dynamics simulations of net positively charged fullerene nanoparticles in salt-free and salt-added solution. The aggregation of fullerene (C
60 )-like nanoparticle and counterion are studied in detail as a function of temperatures and a finite salt concentration. Our simulations show that the strong conformation changes as temperature changes. The net positively-charged nanoparticles do not repel each other but are condensed under proper temperatures. If salts are added, the aggregated nanoparticles will be disaggregated due to the Debye screening effect. [ABSTRACT FROM AUTHOR]- Published
- 2014
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