NDLI: High Purity Single Wall Carbon Nanotube by Oxygen-Containing Functional Group of Ferrocene-Derived Catalyst Precursor by Floating Catalyst Chemical Vapor Deposition

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High Purity Single Wall Carbon Nanotube by Oxygen-Containing Functional Group of Ferrocene-Derived Catalyst Precursor by Floating Catalyst Chemical Vapor Deposition

Content Provider	MDPI
Author	Moon, Sook Young Jeon, Seung-Yeol Lee, Sung-Hyun Lee, Anna Kim, Seung Min
Copyright Year	2022
Abstract	Single wall carbon nanotubes (SWCNTs) were synthesized using oxygen-containing ferrocene derived catalysts. The mechanism of synthesizing carbon nanotubes was clarified by the catalyst’s exothermic or endothermic decomposition processes. By monitoring the decomposition process of ferrocene-derived catalyst precursors with and without sulfur, we found that the types of oxygen function groups closely influence catalyst formation and nanotube growth. The ferrocene-derived catalyst precursors have a different oxygen containing groups, which are hydroxyl (–OH, ferrocenenemethanol) and carbonyl (C=O, acetylferrocene, and 1,1′-diacetylferrocene). The sulfur chemical state (S 2p) on synthesized catalyst particles using acetylferrocene and 1,1′-diacetylferrocene has more sulfate ( ${SO}_{4}^{2 -}$ ) than others, and there also is a carbon state (C-S-C). The catalyst particle using ferrocenemethanol predominant formed metal–sulfur bonds (such as S²⁻ and $S_{n}^{2 -}$ ). The hydroxyl group (–OH) of ferrocenemethanol enhanced the etching effect to remove amorphous carbon and prevented oxidation on the catalyst particle surfaces; however, the carbonyl group (C=O) of acetylferrocene reacted with the catalyst particles to cause partial oxidation and carbon dissociation on the surface of the catalyst particles. The partial oxidation and carbon contamination on catalyst particles controlled the activity of the catalyst. The DFT study revealed that the ferrocene-derived catalyst precursor was dissociated according to following process: the functional groups (such as CH₃CO and COH) => first Cp ligands => second Cp ligands. The pyrolysis and release of Fe ions were delayed by the functional groups of ferrocene-derived precursors compared to ferrocene. The thermal-decomposition temperature of the catalyst precursor was high, the decomposition time was be delayed, affecting the formation of catalyst particles and thus making smaller catalyst particles. The size and composition of catalyst particles not only affect the nucleation of CNTs, but also affect physical properties. Therefore, the I_G/I_D ratio of the CNTs changed from 74 to 18 for acetylferrocene and ferrocene, respectively. The purity also increased from 79 to 90% using ferrocene-derived precursors.
Starting Page	863
e-ISSN	20794991
DOI	10.3390/nano12050863
Journal	Nanomaterials
Issue Number	5
Volume Number	12
Language	English
Publisher	MDPI
Publisher Date	2022-03-04
Access Restriction	Open
Subject Keyword	Nanomaterials Atomic, Molecular and Chemical Physics Carbon Nanotube Direct Spinning Floating Catalyst Chemical Vapor Deposition Oxygen Containing Precursor Dft
Content Type	Text
Resource Type	Article

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