Carbon Nanotube Growth by Catalytic Chemical Vapor Deposition: A Phenomenological Kinetic Model

Latorre, N.; Romeo, E.; Cazaña, F.; Ubieto, T.; Royo, C.; Villacampa, J. I.; Μοnzόn, A.

doi:10.1021/jp906893m

Cited by 54 publications

(75 citation statements)

References 95 publications

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“…The model was applied to fit data obtained by experiments, and the values obtained for the kinetic parameters have a realistic physical meaning, in good agreement with the mechanism of CNT formation [99].…”

Section: (B) Cnts and Related Structuresmentioning

confidence: 71%

“…Table 1 summarizes the different mechanistic growth models published in recent years, indicating the processes included in each model, the reactor type (CVD or PE-CVD) and the simulation method. From this overview it is clear that the mechanistic models can be divided into three groups from simulation point of view, i.e., kinetic models [92][93][94][95][96][97][98][99], multiphysics, multiphase integrated models [100][101][102][103] and kinetic Monte Carlo (MC) models [104][105][106][107]. Puretzky and co-workers [92] presented a kinetic model for the CVD-based growth of vertically aligned nanotube arrays (VANTAs) from C 2 H 2 , based on in situ measurements.…”

Section: (B) Cnts and Related Structuresmentioning

confidence: 99%

“…Finally, a phenomenological kinetic model was recently developed by Latorre et al [99], which included all the relevant steps involved in the CNT growth by catalytic CVD, including carbon source decomposition, nanoparticle surface carburization, carbon diffusion, nucleation, CNT growth, and growth termination by catalyst deactivation or by the effect of sterical hindrance. The model was applied to fit data obtained by experiments, and the values obtained for the kinetic parameters have a realistic physical meaning, in good agreement with the mechanism of CNT formation [99].…”

Section: (B) Cnts and Related Structuresmentioning

confidence: 99%

See 2 more Smart Citations

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.

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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...

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Section: (B) Cnts and Related Structuresmentioning

confidence: 71%

Section: (B) Cnts and Related Structuresmentioning

confidence: 99%

Section: (B) Cnts and Related Structuresmentioning

confidence: 99%

See 1 more Smart Citation

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 pressure dependence of the initial growth of CNTs was obtained, as shown in Figures 2C and 1D. A phenomenological kinetic model was developed by Latorre et al [12] , which included all relevant steps involved in CNT growth by catalytic CVD, namely, carbon source decomposition, nanoparticle surface understanding of the elementary steps involved in the production of CNTs so as to derive a phenomenological kinetic model. They found that the best models involved [7] , (B) Khedr et al [8] , (C) Wirth et al [11] , (D) Kwok et al [13] , (E) Raji et al [16] , (F) Samandari-Masouleh et al [14] .…”

Section: Referencesmentioning

confidence: 99%

“…The major advantage of the model proposed by Latorre et al [12] is that it can explain the elementary steps more precisely compared with other models, including the initial carburization-nucleation step, growth termination and catalyst deactivation. This model can be applied to describe a wide variety of experimental kinetics studies of CNT growth by CCVD.…”

Section: Chemical Kinetics Modelsmentioning

confidence: 99%

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

Raji

Sobhan

2013

Nanotechnology Reviews

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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.

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Recent Progress in Obtaining Semiconducting Single‐Walled Carbon Nanotubes for Transistor Applications

2015

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High purity semiconducting single-walled carbon nanotubes (s-SWCNTs) with a narrow diameter distribution are required for high-performance transistors. Achieving this goal is extremely challenging because the as-grown material contains mixtures of s-SWCNTs and metallic- (m-) SWCNTs with wide diameter distributions, typically inadequate for integrated circuits. Since 2000, numerous ex situ methods have been proposed to improve the purity of the s-SWCNTs. The majority of these techniques fail to maintain the quality and integrity of the s-SWCNTs with a few notable exceptions. Here, the progress in realizing high purity s-SWCNTs in as-grown and post-processed materials is highlighted. A comparison of transistor parameters (such as on/off ratio and field-effect mobility) obtained from test structures establishes the effectiveness of various methods and suggests opportunities for future improvements.

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Carbon Nanotube Growth by Catalytic Chemical Vapor Deposition: A Phenomenological Kinetic Model

Cited by 54 publications

References 95 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

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

Recent Progress in Obtaining Semiconducting Single‐Walled Carbon Nanotubes for Transistor Applications

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