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Topology of 1-pentagon carbon nanocones - Topological efficiency and magic sizes

Journal Contribution - Journal Article

In this article topological modeling techniques have been applied to the study of one pentagoncarbon nanocones (apical angle 19°) to derive important results about preferred sizes andchemical reactivity. This theoretical model looks to the nanocone just like a 3-connected graphand considers the topological efficiency (or topological roundness) of such a system as the longrangetopological potential whose local minima correspond to magic sizes of the nanocone withhigh probability of formation. This study moreover shows that topology alone can determine amigration of the stable regions of the nanocone along the nanocone itself, leaving in such a waythe apical pentagon in a topologically reactive status. This study expands and systematizesprevious works on the same subject.
Journal: Fullerenes, Nanotubes and Carbon Nanostructures
ISSN: 1536-383X
Issue: 5
Volume: 26
Pages: 291 - 302
Publication year:2018
Keywords:Physical chemistry, Materials science, Atomic, molecular & chemical physics