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Ding, Feng
IBS - Center for Multidimensional Carbon Materials (CMCM)
Research Interests
  • Theoretical methods development for materials studies.

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Anchoring effect of Ni2+ in stabilizing reduced metallic particles for growing single-walled carbon nanotubes

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Title
Anchoring effect of Ni2+ in stabilizing reduced metallic particles for growing single-walled carbon nanotubes
Author
He, MaoshuaiWang, XiaoZhang, LiliWu, QianruSong, XiaojieChernov, Alexander I.Fedotov, Pavel V.Obraztsova, Elena D.Sainio, JaniJiang, HuaCui, HongzhiDing, FengKauppinen, Esko
Keywords
Catalyst; Single-walled carbon nanotube;  Chirality selective;  Reduction temperature;  Solid solution;  Anchoring effect
Issue Date
201803
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
Citation
CARBON, v.128, no., pp.249 - 256
Abstract
The suitability of the Ni-MgO catalyst as a catalyst in chiral-selective growth of single-walled carbon nanotubes (SWNTs) by chemical vapor deposition has been assessed. It reveals that catalyst calcination temperature plays an important role in affecting the catalyst performances. Using CO as the carbon precursor and a chemical vapor deposition reaction temperature of 600 degrees C, Ni-MgO pre-calcined at 600 degrees C demonstrates the best performances in catalyzing the growth of SWNTs with predominant (6, 5) species. Systematic characterizations on catalysts calcinated at different temperatures indicate that Ni2+ ions diffuse towards the interior of MgO matrix upon annealing. DFT-based calculations reveal that the binding energy between Ni2+ and adjacent Ni(0) is larger than that between Mg2+ and Ni (0), while Ni2+ situated deep inside MgO has weak interactions with surface Ni atoms. This work highlights the importance of subsurface Ni2+ in anchoring reduced surface Ni atom, which inhibits the aggregation of Ni particles and therefore, facilitates the growth of SWNTs with a narrow chirality distribution.
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DOI
http://dx.doi.org/10.1016/j.carbon.2017.11.093
ISSN
0008-6223
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