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Author | Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. | ||||
Title | A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation | Type | A1 Journal article | ||
Year | 2011 | Publication | Carbon | Abbreviated Journal | Carbon |
Volume | 49 | Issue | 3 | Pages | 1013-1017 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Oxford | Editor | ||
Language | Wos | 000286683500032 | Publication Date | 2010-11-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0008-6223; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.337 | Times cited | 13 | Open Access | |
Notes | Approved | Most recent IF: 6.337; 2011 IF: 5.378 | |||
Call Number | UA @ lucian @ c:irua:85139 | Serial ![]() |
639 | ||
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