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Liao, Ting; Sun, Ziqi; Kim, Jung Ho; Dou, Shi Xue, E-mail: ziqi.sun@qut.edu.au, E-mail: shi@uow.edu.au2017
AbstractAbstract
[en] Highlights: • Carbon nanoribbons can be welded by a variety of metal-atoms to form metal functionalized carbon nanotubes. • The salient properties of metal-welded carbon nanotubes pave the way to design high-performance energy-related devices. • The idea of heteroatom welding of foldable two-dimensional systems can be extended to other two-dimensional (2D) nanosheets. The properties of either carbon nanotubes (CNTs) or nanoribbons (CNRs) in their pristine form are nevertheless insufficient to satisfy the increasing demands of various applications. Strategies that can endow these carbon-based nanostructures with guided functionalization are in urgent need. Herein, we theoretically demonstrate that carbon nanoribbons can be welded by a variety of metal-atoms, such as alkali metals, III-IV group metals, and transition-metals, to form functionalized metal-welded carbon nanotubes (MW-CNTs), which represent a new family of carbon-based nanostructures. It is significant that the metal-welded CNTs exhibit noticeably lower formation energies than their nanoribbon counterparts, indicating that this new family of carbon nanostructures can be synthesized experimentally. The introduction of the hetero-metal-atoms endows MW-CNTs with fascinating tailored properties. For example, in the 3d magnetic transition-metal-welded (Cr, Mn and Fe) nanotubes, Cr-welded CNTs show half-metallic properties, giving them potential applications in spintronic or magnetic devices; while Fe-welded CNTs display superior catalytic activity towards the dissociation of water molecules. The salient electronic and catalytic properties of this novel family of metal-welded carbon nanotubes pave the way to design high-performance devices for energy harvesting, conversion and storage. More importantly, the idea of heteroatom welding of foldable two-dimensional systems may develop into a versatile design strategy that can be extended to BN, MoS2, TiO2, and other two-dimensional (2D) nanosheets.
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Source
S2211285516306024; Available from http://dx.doi.org/10.1016/j.nanoen.2016.12.033; Copyright (c) 2016 Elsevier Ltd. All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Record Type
Journal Article
Journal
Nano Energy (Print); ISSN 2211-2855;
; v. 32; p. 209-215

Country of publication
CARBON, CHALCOGENIDES, CRYSTAL LATTICES, CRYSTAL STRUCTURE, ELEMENTS, FABRICATION, JOINING, JOINTS, METALS, MOLYBDENUM COMPOUNDS, NANOSTRUCTURES, NANOTUBES, NONMETALS, OXIDES, OXYGEN COMPOUNDS, REFRACTORY METAL COMPOUNDS, SULFIDES, SULFUR COMPOUNDS, TITANIUM COMPOUNDS, TRANSITION ELEMENT COMPOUNDS, TRANSITION ELEMENTS
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