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Aggregation of fullerene (C 60 ) nanoparticle: A molecular-dynamic study
- Source :
- Chinese Physics B. 23:048201
- Publication Year :
- 2014
- Publisher :
- IOP Publishing, 2014.
-
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 (C60)-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.
- Subjects :
- chemistry.chemical_classification
Quantitative Biology::Biomolecules
Materials science
Fullerene
Screening effect
General Physics and Astronomy
Salt (chemistry)
Nanoparticle
Nanotechnology
Condensed Matter::Soft Condensed Matter
symbols.namesake
Molecular dynamics
chemistry
Chemical physics
Physics::Atomic and Molecular Clusters
symbols
Counterion
Debye
Subjects
Details
- ISSN :
- 16741056
- Volume :
- 23
- Database :
- OpenAIRE
- Journal :
- Chinese Physics B
- Accession number :
- edsair.doi...........f74bb00d8d36982b2a34a30bb16cc8c1