The role of the catalytic particle temperature gradient for SWNT growth from small particles

Ding, Feng; Rosén, Arne; Bolton, Kim

doi:10.1016/j.cplett.2004.06.056

Cited by 82 publications

(65 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Moreover, in agreement with the experiment, it was also found that clusters with diameters smaller than 0.5 nm yield tubes with slightly larger diameters of 0.6 -0.7 nm [151]. Also the effect of temperature gradient was investigated by this group [152,153], concluding that while a temperature gradient may be important for larger particles, it is not required for SWNT growth from small particles.…”

Section: (B) Cnts and Related Structuressupporting

confidence: 64%

Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials

Bogaerts¹,

Eckert²,

Mao³

et al. 2011

J. Phys. D: Appl. Phys.

View full text Add to dashboard Cite

In this review paper, an overview is given of different modeling efforts for plasmas used for the formation and growth of nanostructured materials. This includes both the plasma chemistry, providing information on the precursors for nanostructure formation, as well as the growth processes itself. We limit ourselves to carbon (and silicon) nanostructures. Examples of the plasma modeling comprise nanoparticle formation in silane and hydrocarbon plasmas, as well as the plasma chemistry giving rise to carbon nanostructure formation, such as (ultra)nanocrystalline diamond ((U)NCD) and carbon nanotubes (CNTs). The second part of the paper deals with the simulation of the (plasma-based) growth mechanisms of the same carbon nanostructures, i.e., (U)NCD and CNTs, both by mechanistic modeling and detailed atomistic simulations. IntroductionLow temperature plasmas are playing an increasingly important role for the formation and growth of nanostructures and nanostructured materials (e.g., [1][2][3][4][5][6][7]). To improve the performance of these plasma growth processes, a good insight is desired in the plasma and in the interaction with the growing nanostructures. This insight can be obtained by experimental research, but the latter is not always straightforward, in view of the small dimensions of the nanomaterials and the possible disturbance of the plasma characteristics, e.g., when introducing a probe. Therefore, computer simulations can be very useful to assist in the experimental developments.In the present paper, we will give an overview of different modeling efforts that have been presented in the literature for plasmas used for nanostructure formation. This includes two different aspects. First, a thorough understanding of the plasma behavior is needed. This comprises background gas flow and heating (i.e., fluid dynamics), gas breakdown, transport and heating of the electrons and the so-called heavy particles, as well as the plasma chemistry, i.e., creation and destruction of the various plasma species by chemical reactions. Modeling of the plasma chemistry can give indications on which species are important precursors for the growth of nanostructured materials and how the plasma operating conditions can be tuned to optimize the growth process. Therefore, in this paper we will mainly focus on the plasma chemistry modeling. Several plasma modeling approaches exist in literature, such as analytical models, zero-dimensional (0D) chemical kinetics simulations, fluid models (describing the chemical kinetics as well as fluid dynamics), solving the Boltzmann transport equation, Monte Carlo (MC) and particle-in-cell (PIC)-MC simulations, as well as hybrid methods, combining the above (e.g., MC + fluid) models. For describing the plasma chemistry, the 0D chemical kinetics approach is often applied, as it can take into account a large number of different species and reactions without too much computational effort. However, it assumes a spatially uniform plasma composition and does not consider transport of the plasm...

show abstract

Section: (B) Cnts and Related Structuressupporting

confidence: 64%

Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials

Bogaerts¹,

Eckert²,

Mao³

et al. 2011

J. Phys. D: Appl. Phys.

View full text Add to dashboard Cite

show abstract

“…The formation of CNCs and CNTs was not confirmed when the heating temperature was changed to 873 K, 973 K, 1073 K, and 1123 K. When the heating time was shortened to 0.5 h at 1173 K, the size distribution of CNCs and CNTs was similar. size melt at 1000 K [27]. The melting Fe particles are mobile and fuse together.…”

Section: Resultsmentioning

confidence: 99%

“…Jiao et al showed from in situ TEM that in, CNCs encapsulating Fe and Fe carbide particles, the particle is removed from the CNC at 1173-1373 K [29]. As Ding et al discussed, the driving force of the particle removal relates to the temperature and concentration gradients in the particle, which are caused by the precipitation of graphene layers [27]. By removal of the particle, the CNC is broken and a hole is formed.…”

Section: Formation Of Cncs and Cntsmentioning

confidence: 99%

Synthesis of Carbon Nanocapsules and Nanotubes Using Fe-Doped Fullerene Nanowhiskers

Kizuka

Miyazawa

Matsuura

2012

Journal of Nanotechnology

View full text Add to dashboard Cite

We synthesized iron-(Fe-)doped C 60 nanowhiskers (NWs) by applying the liquid-liquid interfacial precipitation method that employs a C 60 -saturated toluene solution and a solution of 2-propanol containing ferric nitrate nonahydrate (Fe(NO 3 ) 3 ·9H 2 O). Fe particles of 3-7 nm in diameter were precipitated in the NWs. By heating at 1173 K, the NWs were transformed into hollow and Fe 3 C-encapsulated carbon nanocapsules and carbon nanotubes.

show abstract

“…all C atoms are dissolved in the particle; (ii) at intermediate times the FeC cluster is highly supersaturated in C and carbon strings, polygons and small graphitic islands nucleate on the cluster surface; (iii) at later times the FeC cluster is supersaturated in C and, depending on the temperature, the graphene sheet, SWCNT, or the soot-like structure grows, as shown in Figures 7C and 8 A. Ding et al [25] also studied the role of the catalyst-particle temperature gradient in SWCNT growth from small particles. The investigation revealed that although the temperature gradient may be important for the growth of carbon species from large metal particles, according to MD simulations, this is not required for the growth of SWCNTs from small catalytic particles.…”

Section: Discrete Computational Modelingmentioning

confidence: 96%

“…In addition, the PES could distinguish between dissolved and precipitated carbon atoms. With the help of PES, the authors could also describe the role of the catalytic particle temperature gradient [25,26] and the influence of catalyst particle size in nanotube growth [27] , and in a bamboo-like CNT formation [28] . The approach and results were novel in this aspect.…”

Section: Discrete Modelsmentioning

confidence: 99%

Simulation and modeling of carbon nanotube synthesis: current trends and investigations

Raji

Sobhan

2013

Nanotechnology Reviews

View full text Add to dashboard Cite

A review of significant investigations reported on simulating the nucleation and growth processes of carbon nanotubes (CNTs) using different modeling techniques is presented here. Special emphasis is given to the chemical vapor deposition method, being the cheapest and most versatile of the fabrication methods. The modeling methods involve the conventional computational fluid dynamics approaches as well as discrete computation techniques. Some in-house investigations utilizing chemical kinetic modeling and discrete computations to predict the growth of CNTs using the chemical vapor deposition method are also discussed. The modeling and simulation techniques reviewed here are expected to assist in the design of chirality-specific single-walled CNT synthesis systems.

show abstract

The role of the catalytic particle temperature gradient for SWNT growth from small particles

Cited by 82 publications

References 14 publications

Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials

Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials

Synthesis of Carbon Nanocapsules and Nanotubes Using Fe-Doped Fullerene Nanowhiskers

Simulation and modeling of carbon nanotube synthesis: current trends and investigations

Contact Info

Product

Resources

About