Please use this identifier to cite or link to this item: http://repo.lib.jfn.ac.lk/ujrr/handle/123456789/3958
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dc.contributor.authorKuganathan, N.
dc.contributor.authorSrikaran, R.
dc.contributor.authorChroneos, A.
dc.date.accessioned2021-10-13T03:24:07Z
dc.date.accessioned2022-07-11T08:25:20Z-
dc.date.available2021-10-13T03:24:07Z
dc.date.available2022-07-11T08:25:20Z-
dc.date.issued2019
dc.identifier.urihttp://repo.lib.jfn.ac.lk/ujrr/handle/123456789/3958-
dc.description.abstract: Buckminsterfullerene (C60) has been advocated as a perfect candidate material for the encapsulation and adsorption of a variety of metals and the resultant metallofullerenes have been considered for the use in different scientific, technological and medical areas. Using spin-polarized density functional theory together with dispersion correction, we examine the stability and electronic structures of endohedral and exohedral complexes formed between coinage metals (Cu, Ag and Au) and both non-defective and defective C60. Encapsulation is exoergic in both forms of C60 and their encapsulation energies are almost the same. Exohedral adsorption of all three metals is stronger than that of endohedral encapsulation in the non-defective C60. Structures and the stability of atoms interacting with an outer surface of a defective C60 are also discussed. As the atoms are stable both inside and outside the C60, the resultant complexes can be of interest in different scientific and medical fields. Furthermore, all complexes exhibit magnetic moments, inferring that they can be used as spintronic materials.en_US
dc.language.isoenen_US
dc.publisherNanomaterialsen_US
dc.subjectC60en_US
dc.subjectCopperen_US
dc.subjectSilveren_US
dc.subjectGolden_US
dc.subjectEncapsulation energyen_US
dc.titleStability of Coinage Metals Interacting with C60en_US
dc.typeArticleen_US
Appears in Collections:Chemistry

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