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Li-Ping, Ding
다차원 탄소재료 연구단
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Why Carbon Nanotubes Grow

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Title
Why Carbon Nanotubes Grow
Author(s)
Li Ping Ding; Ben McLean; Ziwei Xu; Xiao Kong; Daniel Hedman; Lu Qiu; Page, Alister J.; Feng Ding
Publication Date
2022-03
Journal
Journal of the American Chemical Society, v.144, no.12, pp.5606 - 5613
Publisher
American Chemical Society
Abstract
© 2022 American Chemical Society.Despite three decades of intense research efforts, the most fundamental question "why do carbon nanotubes grow?"remains unanswered. In fact, carbon nanotubes (CNTs) should not grow since the encapsulation of a catalyst with graphitic carbon is energetically more favorable than CNT growth in every aspect. Here, we answer this question using a theoretical model based on extensive first-principles and molecular dynamics calculations. We reveal a historically overlooked yet fundamental aspect of the CNT-catalyst interface, viz., that the interfacial energy of the CNT-catalyst edge is contact angle-dependent. The contact angle increases via graphitic cap lift-off, drastically decreasing the interfacial formation energy by up to 6-9 eV/nm, overcoming van der Waals cap-catalyst adhesion, and driving CNT growth. Mapping this remarkable and simple interplay allows us to understand, for the first time, why CNTs grow.
URI
https://pr.ibs.re.kr/handle/8788114/11461
DOI
10.1021/jacs.2c00879
ISSN
0002-7863
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > 1. Journal Papers (저널논문)
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