Stability of Coinage Metals Interacting with C<sub>60</sub>
Buckminsterfullerene (C<sub>60</sub>) 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-p...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2019-10-01
|
| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/9/10/1484 |
| _version_ | 1819039918692761600 |
|---|---|
| author | Navaratnarajah Kuganathan Ratnasothy Srikaran Alexander Chroneos |
| author_facet | Navaratnarajah Kuganathan Ratnasothy Srikaran Alexander Chroneos |
| author_sort | Navaratnarajah Kuganathan |
| collection | DOAJ |
| description | Buckminsterfullerene (C<sub>60</sub>) 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 C<sub>60</sub>. Encapsulation is exoergic in both forms of C<sub>60</sub> 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 C<sub>60</sub>. Structures and the stability of atoms interacting with an outer surface of a defective C<sub>60</sub> are also discussed. As the atoms are stable both inside and outside the C<sub>60</sub>, 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. |
| first_indexed | 2024-12-21T09:00:50Z |
| format | Article |
| id | doaj.art-1331f07473c24d30934a47028defabc3 |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-12-21T09:00:50Z |
| publishDate | 2019-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-1331f07473c24d30934a47028defabc32022-12-21T19:09:28ZengMDPI AGNanomaterials2079-49912019-10-01910148410.3390/nano9101484nano9101484Stability of Coinage Metals Interacting with C<sub>60</sub>Navaratnarajah Kuganathan0Ratnasothy Srikaran1Alexander Chroneos2Department of Materials, Imperial College London, London SW7 2AZ, UKDepartment of Chemistry, University of Jaffna, Sir. Pon Ramanathan Road, Thirunelvely, Jaffna 40000, SrilankaDepartment of Materials, Imperial College London, London SW7 2AZ, UKBuckminsterfullerene (C<sub>60</sub>) 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 C<sub>60</sub>. Encapsulation is exoergic in both forms of C<sub>60</sub> 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 C<sub>60</sub>. Structures and the stability of atoms interacting with an outer surface of a defective C<sub>60</sub> are also discussed. As the atoms are stable both inside and outside the C<sub>60</sub>, 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.https://www.mdpi.com/2079-4991/9/10/1484c<sub>60</sub>coppersilvergoldencapsulation energy |
| spellingShingle | Navaratnarajah Kuganathan Ratnasothy Srikaran Alexander Chroneos Stability of Coinage Metals Interacting with C<sub>60</sub> Nanomaterials c<sub>60</sub> copper silver gold encapsulation energy |
| title | Stability of Coinage Metals Interacting with C<sub>60</sub> |
| title_full | Stability of Coinage Metals Interacting with C<sub>60</sub> |
| title_fullStr | Stability of Coinage Metals Interacting with C<sub>60</sub> |
| title_full_unstemmed | Stability of Coinage Metals Interacting with C<sub>60</sub> |
| title_short | Stability of Coinage Metals Interacting with C<sub>60</sub> |
| title_sort | stability of coinage metals interacting with c sub 60 sub |
| topic | c<sub>60</sub> copper silver gold encapsulation energy |
| url | https://www.mdpi.com/2079-4991/9/10/1484 |
| work_keys_str_mv | AT navaratnarajahkuganathan stabilityofcoinagemetalsinteractingwithcsub60sub AT ratnasothysrikaran stabilityofcoinagemetalsinteractingwithcsub60sub AT alexanderchroneos stabilityofcoinagemetalsinteractingwithcsub60sub |