dc.contributor.author Sorkin, Anastassia dc.contributor.author Su, Haibin dc.date.accessioned 2014-11-04T09:23:28Z dc.date.available 2014-11-04T09:23:28Z dc.date.copyright 2014 en_US dc.date.issued 2014 dc.identifier.citation Sorkin, A., & Su, H. (2014). The mechanism of transforming diamond nanowires to carbon nanostructures. Nanotechnology, 25(3), 035601-. en_US dc.identifier.uri http://hdl.handle.net/10220/24181 dc.description.abstract The transformation of diamond nanowires (DNWs) with different diameters and geometries upon heating is investigated with density-functional-based tight-binding molecular dynamics. DNWs of ⟨100⟩ and ⟨111⟩ oriented cross-section with projected average line density between 7 and 20 atoms Å−1 transform into carbon nanotubes (CNTs) under gradual heating up to 3500–4000 K. DNWs with projected average line density larger than 25 atoms Å−1 transform into double-wall CNTs. The route of transformation into CNTs clearly exhibits three stages, with the intriguing intermediate structural motif of a carbon nanoscroll (CNS). Moreover, the morphology plays an important role in the transformation involving the CNS as one important intermediate motif to form CNTs. When starting with $\langle \bar {2}1 1\rangle$ oriented DNWs with a square cross-section consisting of two {111} facets facing each other, one interesting structure with 'nano-bookshelf' shape emerges: a number of graphene 'shelves' located inside the CNT, bonding to the CNT walls with sp3 hybridized atoms. The nano-bookshelf structures exist in a wide range of temperatures up to 3000 K. The further transformation from nano-bookshelf structures depends on the strength of the joints connecting shelves with CNT walls. Notably, the nano-bookshelf structure can evolve into two end products: one is CNT via the CNS pathway, the other is graphene transformed directly from the nano-bookshelf structure at high temperature. This work sheds light on the microscopic insight of carbon nanostructure formation mechanisms with the featured motifs highlighted in the pathways. en_US dc.language.iso en en_US dc.relation.ispartofseries Nanotechnology en_US dc.rights © 2014 IOP Publishing Ltd. en_US dc.subject DRNTU::Engineering::Materials::Nanostructured materials dc.title The mechanism of transforming diamond nanowires to carbon nanostructures en_US dc.type Journal Article dc.contributor.research Institute of Advanced Studies en_US dc.contributor.school School of Materials Science and Engineering en_US dc.identifier.doi http://dx.doi.org/10.1088/0957-4484/25/3/035601
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