Diamond and Related Nanostructures pp 107-119 | Cite as
Energetics of Multi-shell Cages
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Abstract
Fullerene aggregation can follow a well-defined geometry of which energy trends to a minimal value. The pattern of space filling differs function of the dimensions and shapes of composing small fullerenes. An attempt of building and stability evaluation of several fullerene aggregates was made. The results show these aggregates as multi-shell covalently bonded structures with a stability comparable to that of C60, the reference fullerene in nanoscience. The calculations were made at the DFTB+ level of theory.
Keywords
Classical Fullerene Isolate Pentagon Rule Fullerene Soot Periodic Minimal Surface Radial Space
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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