On the role of surface oxygen during nascent single-walled carbon nanotube cap spreading and tube nucleation on iron catalysts

Diaz, Mauricio C.; Balbuena, Perla B.

doi:10.1016/j.carbon.2021.08.049

Cited by 6 publications

(3 citation statements)

References 45 publications

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“…The advantages of CO over other hydrocarbon molecules in terms of growing SWNTs have been addressed previously [ 49 , 50 , 51 ]. Because of its high carburization potential, CO promotes the growth of SWNTs with a perpendicular nucleation mode.…”

Section: Resultsmentioning

confidence: 99%

(n, m) Distribution of Single-Walled Carbon Nanotubes Grown from a Non-Magnetic Palladium Catalyst

et al. 2023

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Non-magnetic metal nanoparticles have been previously applied for the growth of single-walled carbon nanotubes (SWNTs). However, the activation mechanisms of non-magnetic metal catalysts and chirality distribution of synthesized SWNTs remain unclear. In this work, the activation mechanisms of non-magnetic metal palladium (Pd) particles supported by the magnesia carrier and thermodynamic stabilities of nucleated SWNTs with different (n, m) are evaluated by theoretical simulations. The electronic metal–support interaction between Pd and magnesia upshifts the d-band center of Pd, which promotes the chemisorption and dissociation of carbon precursor molecules on the Pd surface, making the activation of magnesia-supported non-magnetic Pd catalysts for SWNT growth possible. To verify the theoretical results, a porous magnesia supported Pd catalyst is developed for the bulk synthesis of SWNTs by chemical vapor deposition. The chirality distribution of Pd-grown SWNTs is understood by operating both Pd–SWNT interfacial formation energy and SWNT growth kinetics. This work not only helps to gain new insights into the activation of catalysts for growing SWNTs, but also extends the use of non-magnetic metal catalysts for bulk synthesis of SWNTs.

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Section: Resultsmentioning

confidence: 99%

(n, m) Distribution of Single-Walled Carbon Nanotubes Grown from a Non-Magnetic Palladium Catalyst

et al. 2023

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“…This favours tube formation and prevents nanoparticle deactivation. This effect on the interaction strength has been investigated in the case of oxygen 25 but has never been studied for sulfur before. Furthermore, our computations showed that sulfur also reduces the CNT binding to the nanoparticle which can influence the growth of the tubular structure, as the weakened NP–CNT interaction leads to easier addition of carbon atoms to the edge of the growing tube.…”

Section: Resultsmentioning

confidence: 99%

“…24 Also, the presence of oxygen has been shown to have a great influence on CNT growth. 25 However, the most commonly used is sulfur [16][17][18][26][27][28][29][30] that has outstanding promoter activity in CNT synthesis, despite the fact that it is a well-known transition metal catalyst poison in many chemical processes. 31 Sulfur can be added as powder or in the form of a sulfur-containing compound such as thiophene or carbon disulfide.…”

Section: Introductionmentioning

confidence: 99%