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Ding, Feng
IBS - Center for Multidimensional Carbon Materials (CMCM)
Research Interests
  • Theoretical methods development for materials studies.
  • The formation mechanism of various carbon materials, from fullerene to carbon nanotube and graphene.
  • Kinetics and thermodynamics of materials growth and etching.
  • The structure, properties and fundamentals of nanomaterials.
  • The experimental synthesis of carbon nanotubes.

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Catalyst particle size dependent carbon nanotube cloning

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Title
Catalyst particle size dependent carbon nanotube cloning
Author
Xu, ZiweiDing, Feng
Issue Date
2021-04
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Citation
CARBON, v.175, pp.69 - 76
Abstract
The single walled carbon nanotube (SWCNT) cloning or its seeded growth with a catalyst particle docked on one of its ends was proposed as the ultimate solution for chirality-specific SWCNT synthesis and, therefore, revealing the effect of catalyst particle size on the robustness of the SWCNT cloning is crucial for experimental designs. Through systematic atomic simulations, we have clearly demonstrated that the robustness of SWCNT cloning depends on both the chiral angle of the SWCNT and the ratio of the diameters between the SWCNT and the docked catalyst particle. The zigzag (ZZ) or near ZZ SWCNTs are highly sensitive to the size of the docked catalyst particle. A small change of the catalyst particle size could lead to a variation of the SWCNT's chirality. In contrast, armchair (AC) or near-AC SWCNTs are less sensitive to the size of the docked catalyst particle and able to maintain their original chiralities within similar to 30% variation of the catalyst particle size. This study greatly deepens our understanding of SWCNT's growth mechanism and provides a quantitative guidance for SWCNT cloning. (C) 2020 Elsevier Ltd. All rights reserved.
URI
https://scholarworks.unist.ac.kr/handle/201301/52929
URL
https://www.sciencedirect.com/science/article/pii/S0008622320312628?via%3Dihub
DOI
10.1016/j.carbon.2020.12.085
ISSN
0008-6223
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