Buckling and competition of energy and entropy lead conformation of single-walled carbon nanocones

Details Buckling and competition of energy and entropy lead conformation of single-walled carbon nanocones Buckling and competition of energy and entropy lead conformation of single-walled carbon nanocones

2008-05-20

arxiv.org/abs/0805.2992v1

Applied Physics Letters (2006)

Physics

Condensed Matter

Soft Condensed Matter

3 pages, 3 figures

Scientific paper

Using a continuum model, expressions for the elastic energy, defect energy, structure entropy, and mixing entropy of carbon nanocones are proposed analytically. The optimal conformation of carbon nanocones is studied by imposing minimization of free energy and analyzing the effects that the buckling of a nanocone's walls have during formation. The model explains the experimentally observed preference of 19.2 degrees for the cone angle of carbon nanocone. Furthermore, it predicts the optimal conformation of carbon nanocones to result in a cone angle of 19.2 degrees, radius of 0.35 nm, and critical length of 24 nm, all of which agree very well with experimental observations.

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