Initial competing chemical pathways during floating catalyst chemical vapor deposition carbon nanotube growth

McLean, Ben; Kauppinen, Esko I.; Page, Alister J.

doi:10.1063/5.0030814

Cited by 27 publications

(23 citation statements)

References 69 publications

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“…After CO dissociation, which occurs on a vertex between the facets, O atoms remain on the surface while C atoms move into the cluster as the initial step toward carbide formation [70,71] Furthermore, the simulation indicated that CO limits the amount of FeFe bonding due to the formation of strong saturating FeO bonds. [72] The increased oxygen chemical potential with CO 2 over CO leads to a preferential increase in FeO bonds and a general reduction in chain growth kinetics.…”

Section: Carbon Sourcementioning

confidence: 99%

Synthesis of Carbon Nanotubes by Floating Catalyst Chemical Vapor Deposition and Their Applications

Hou

Zhang

et al. 2021

Adv Funct Materials

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Floating catalyst chemical vapor deposition (FCCVD) has been one of the most important techniques for the synthesis of high-quality single-, double-, and multi-wall carbon nanotubes (CNTs). The method is characterized of simple processing, good controllability, and desirable scalability. The bulk morphologies of the synthesized CNTs can be sponge-like, an array, a thin film, or fiber by simply changing the growth parameters and the way they are collected, which facilitates a wide range of applications. The authors comprehensively review the state-of-the-art progress on the controlled growth of CNTs by FCCVD which have a defined number of walls, and controlled diameter, bundle size, and type of conductivity. The properties and possible applications for the CNTs and their hybrids are summarized. Finally, insights into the key challenges and prospects for CNTs synthesized by FCCVD are discussed.

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Section: Carbon Sourcementioning

confidence: 99%

Synthesis of Carbon Nanotubes by Floating Catalyst Chemical Vapor Deposition and Their Applications

Hou

Zhang

et al. 2021

Adv Funct Materials

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“…The adsorption data were evaluated using the Freundlich and Langmuir isotherm models, and the maximum adsorption capacity of Cu(II) was 163.7 mg g −1 [116]. First principles nonequilibrium quantum chemical molecular dynamics simulations of the breakdown of ferrocene (Fc) during floating catalyst CVD (FCCVD) were described by Mclean et al in 2021 [117].…”

Section: Chemical Vapor Deposition (Cvd)mentioning

confidence: 99%

Oxygenated Hydrocarbons from Catalytic Hydrogenation of Carbon Dioxide

2023

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Once fundamental difficulties such as active sites and selectivity are fully resolved, metal-free catalysts such as 3D graphene or carbon nanotubes (CNT) are very cost-effective substitutes for the expensive noble metals used for catalyzing CO2. A viable method for converting environmental wastes into useful energy storage or industrial wealth, and one which also addresses the environmental and energy problems brought on by emissions of CO2, is CO2 hydrogenation into hydrocarbon compounds. The creation of catalytic compounds and knowledge about the reaction mechanisms have received considerable attention. Numerous variables affect the catalytic process, including metal–support interaction, metal particle sizes, and promoters. CO2 hydrogenation into different hydrocarbon compounds like lower olefins, alcoholic composites, long-chain hydrocarbon composites, and fuels, in addition to other categories, have been explained in previous studies. With respect to catalyst design, photocatalytic activity, and the reaction mechanism, recent advances in obtaining oxygenated hydrocarbons from CO2 processing have been made both through experiments and through density functional theory (DFT) simulations. This review highlights the progress made in the use of three-dimensional (3D) nanomaterials and their compounds and methods for their synthesis in the process of hydrogenation of CO2. Recent advances in catalytic performance and the conversion mechanism for CO2 hydrogenation into hydrocarbons that have been made using both experiments and DFT simulations are also discussed. The development of 3D nanomaterials and metal catalysts supported on 3D nanomaterials is important for CO2 conversion because of their stability and the ability to continuously support the catalytic processes, in addition to the ability to reduce CO2 directly and hydrogenate it into oxygenated hydrocarbons.

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“…Numerous molecular dynamics (MD) simulations have shown that, prior to SWCNT growth, gaseous carbon-based precursors decompose on catalyst nanoparticle surfaces and the released carbon atoms nucleate into a graphitic cap that lifts off and finally elongates into a tube. − The formation of a lifted SWCNT cap is a critical step of SWCNT growth. It is surprising that, despite the many studies on the mechanism of SWCNT growth, the root cause of cap lift-off has never been explained. − …”

Section: Introductionmentioning

confidence: 99%

Why Carbon Nanotubes Grow

Ding

McLean

et al. 2022

J. Am. Chem. Soc.

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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.

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Initial competing chemical pathways during floating catalyst chemical vapor deposition carbon nanotube growth

Abstract: Note: This paper is part of the Special Topic on Physics and Applications of Nanotubes.

Cited by 27 publications

References 69 publications

Synthesis of Carbon Nanotubes by Floating Catalyst Chemical Vapor Deposition and Their Applications

Synthesis of Carbon Nanotubes by Floating Catalyst Chemical Vapor Deposition and Their Applications

Oxygenated Hydrocarbons from Catalytic Hydrogenation of Carbon Dioxide

Why Carbon Nanotubes Grow

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