Title
Formation of endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes by simulated ion implantation Formation of endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes by simulated ion implantation
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Oxford ,
Subject
Chemistry
Source (journal)
Carbon. - Oxford
Volume/pages
47(2009) :4 , p. 1028-1033
ISSN
0008-6223
ISI
000264252900012
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The interaction of thermal and hyperthermal Ni ions with gas-phase C60 fullerene was investigated at two temperatures with classical molecular dynamics simulations using a recently developed interatomic many-body potential. The interaction between Ni and C60 is characterized in terms of the NiC60 binding sites, complex formation, and the collision and temperature induced deformation of the C60 cage structure. The simulations show how ion implantation theoretically allows the synthesis of both endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes.
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