Publication
Title
A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation
Author
Abstract
Using self-consistent KohnSham 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.
Language
English
Source (journal)
Carbon. - Oxford
Publication
Oxford : 2011
ISSN
0008-6223
Volume/pages
49:3(2011), p. 1013-1017
ISI
000286683500032
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
[E?say:metaLocaldata.cgzprojectinf]
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 22.12.2010
Last edited 13.09.2017
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