Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1416629 | Carbon | 2011 | 5 Pages |
Abstract
Using self-consistent Kohn-Sham density-functional theory molecular dynamics simulations, we demonstrate the theoretical possibility to synthesize NiC60, the incarfullerene Ni@C60 and the heterofullerene C59Ni in an ion implantation setup. The corresponding formation mechanisms of all three complexes are elucidated as a function of the ion implantation energy and impact location, suggesting possible routes for selectively synthesizing these complexes.
Related Topics
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Energy (General)
Authors
Erik Neyts, Axel Maeyens, Geoffrey Pourtois, Annemie Bogaerts,