Effects of electronic structure of catalytic nanoparticles on carbon nanotube growth

Turaeva, N. N.; Kuljanishvili, Irma

doi:10.1016/j.cartre.2021.100092

Cited by 10 publications

(17 citation statements)

References 49 publications

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“…(3) surface diffusion of adsorbed carbon atoms and incorporation of carbon atoms from the catalyst surface into the root of the nanotube. In our previous work, 41 the following mechanism, which accounted for weak and strong chemisorption of adsorbents, was considered for nanotube growth from the methane (CH 4 ) precursor gas.…”

Section: Resultsmentioning

confidence: 99%

An extended model for chirality selection in single-walled carbon nanotubes

2023

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Section: Resultsmentioning

confidence: 99%

An extended model for chirality selection in single-walled carbon nanotubes

2023

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“…3,8 However, a limiting factor for this application is the formation of strong bonds between H 2 and transition metals during the process, which lead to the degradation of these catalysts and compromise their catalytic performance. 10,11 T h i s c o n t e n t i s An interesting alternative that has been explored in recent research for obtaining functional nanocatalysts for HERs is the encapsulation of transition metal nanoparticles in carbon nanostructures, such as graphene, 12 carbon nanotubes, 13,14 and carbon nano-onions (CNOs). 15 In this process, the formation of a graphitic structure or shell provides chemical stability and contributes to the catalytic efficiency of the nanoparticles.…”

Section: Introductionmentioning

confidence: 99%

“…16 Consequently, a series of studies have investigated the catalytic performance of Ni nanostructures, including nitrides, 27 phosphides, 28 oxides, 29 hydroxides, 30 and carbides. 31 Despite all these Ni nanoparticle systems holding catalytic significance, Ni/Ni 3 C nanoparticles have garnered particular interest due to their ease of synthesis through chemical routes and their promising role as catalysts in the self-assembly and growth of carbonaceous nanomaterials, 14 particularly CNOs. 32,33 These carbon nanostructures consist of hierarchically stacked fullerene-like structures, resembling the layers of an onion, with thicknesses ranging from 2 to 100 nm, and they exhibit high electrical conductivity.…”

Section: Introductionmentioning

confidence: 99%

Investigation of Ni/Ni₃C Nanoparticle Synthesis for Application as a Catalyst in Carbon Nanostructure Growth

Silva,

Cabrera-Pasca,

Souza

et al. 2023

ACS Appl. Nano Mater.

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The synthesis of functional Ni/Ni 3 C nanoparticles has attracted significant interest, especially in the field of electrocatalysis, where these promising nanoparticles are employed to develop sophisticated electrocatalysts, particularly for hydrogen production through the hydrogen evolution reaction. However, the significant reactivity of these systems makes them susceptible to degradation, compromising their catalyst performance. One solution explored to mitigate this problem involves the catalytic growth of carbon nanostructures to encapsulate and protect these nanoparticles. The mechanisms for the formation of carbon nanostructures from nanoparticles remain the subject of this study. Among the reported processes, the annealing of nanocatalysts has been described as a highly effective method for producing such systems. This process is influenced by parameters, such as the temperature, atmosphere, and structural and morphological characteristics of the nanocatalysts. In the work reported here, we evaluated the influence of different ligand pairs (oleylamine/oleic acid and oleylamine/palm kernel oil) on the structural, morphological, and magnetic properties of Ni/Ni 3 C nanoparticles obtained through thermal decomposition at 240 °C for 3 h. Additionally, we investigated the impact of annealing in a nitrogen atmosphere on the structural properties of these nanoparticles and the growth of carbon nanostructures as a protective mechanism. The analyses include conventional techniques such as X-ray diffraction, transmission electron microscopy (TEM), magnetization measurements, and thermogravimetric analysis with differential scanning calorimetry. Additionally, local analysis was conducted using perturbed angular correlation spectroscopy (PAC) across a broad temperature range (30−693 K), utilizing the radioactive tracer 111 In( 111 Cd) for these measurements. The characterizations revealed that palm kernel oil contributes to the formation of nanoparticles with a higher Ni 3 C content, a broader size distribution, and a lower saturation magnetization. The PAC measurements in the range of 30−50 K, along with density functional theory calculations, indicated the absence of the Ni-hcp phase in the nanoparticles, a topic frequently discussed in the literature. Moreover, the presence of Ni 3 C regions with carbon deficiency was identified, characterized by a quadrupole frequency (ν Q ) of 23 MHz and a hyperfine field (B hf ) of 1 T. The temperature-dependent local analysis, combined with thermal analysis and TEM measurements, confirmed the development of carbon nano-onions around the nanoparticles during thermal treatment above 695 K in a nitrogen atmosphere. This observation demonstrates that nanoparticles obtained with palm kernel oil, which has the highest Ni 3 C content, offer superior encapsulation of Ni nuclei through these graphitic nanostructures.

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“…The resultant (iv) Fe nanoparticles are in the liquid state with a rate-limiting barrier of ≃0.9 eV to catalyze the methane dehydrogenation, which (v) supplies C 2 dimers as the main carbon species for subsequent CNT growth. These (i–v) insights also set the stage for further account of additional environment components (such as sulfur growth promoters) in the catalyst formation process and early stages of FCCVD growth of CNTs as well as effects stemming from the interaction strength of carbon adsorbates on the catalyst surface …”

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confidence: 99%

“…These (i−v) insights also set the stage for further account of additional environment components (such as sulfur growth promoters) in the catalyst formation process and early stages of FCCVD growth of CNTs as well as effects stemming from the interaction strength of carbon adsorbates on the catalyst surface. 39…”

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confidence: 99%

Floating Fe Catalyst Formation and Effects of Hydrogen Environment in the Growth of Carbon Nanotubes

Lei

Bets

Penev

et al. 2023

J. Phys. Chem. Lett.

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Hydrocarbon conversion to advanced carbon nanomaterials with concurrent hydrogen production holds promise for clean energy technologies. This has been largely enabled by the floating catalyst chemical vapor deposition (FCCVD) growth of carbon nanotubes (CNTs), where commonly catalytic iron nanoparticles are formed from ferrocene decomposition. However, the catalyst formation mechanism and the effect of the chemical environment, especially hydrogen, remain elusive. Here, by employing atomistic simulations, we demonstrate how (i) hydrogen accelerates the ferrocene decomposition and (ii) prevents catalyst encapsulation. A subsequent catalytic dehydrogenation of methane on a liquid Fe nanoparticle showed that carbon dimers tend to be the dominant on-surface species. Such atomistic insights help us better understand the catalyst formation and CNT nucleation in the early stages of the FCCVD growth process and optimize it for potential scaleup.

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Effects of electronic structure of catalytic nanoparticles on carbon nanotube growth

Cited by 10 publications

References 49 publications

An extended model for chirality selection in single-walled carbon nanotubes

An extended model for chirality selection in single-walled carbon nanotubes

Investigation of Ni/Ni₃C Nanoparticle Synthesis for Application as a Catalyst in Carbon Nanostructure Growth

Floating Fe Catalyst Formation and Effects of Hydrogen Environment in the Growth of Carbon Nanotubes

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Effects of electronic structure of catalytic nanoparticles on carbon nanotube growth

Cited by 10 publications

References 49 publications

An extended model for chirality selection in single-walled carbon nanotubes

An extended model for chirality selection in single-walled carbon nanotubes

Investigation of Ni/Ni3C Nanoparticle Synthesis for Application as a Catalyst in Carbon Nanostructure Growth

Floating Fe Catalyst Formation and Effects of Hydrogen Environment in the Growth of Carbon Nanotubes

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Investigation of Ni/Ni₃C Nanoparticle Synthesis for Application as a Catalyst in Carbon Nanostructure Growth