Reevaluation of the mechanism for ultrananocrystalline diamond deposition from Ar∕CH4∕H2 gas mixtures

May, Paul; Harvey, Jeremy N.; Smith, James A.; Mankelevich, YA

doi:10.1063/1.2195347

Cited by 103 publications

(123 citation statements)

References 39 publications

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“…However, as some hydrocarbon species (e.g. C 2 H) cannot be detected by spectroscopic means under standard plasma growth conditions [52], computer simulations become an invaluable tool to investigate the gas phase chemistry during (U)NCD growth. Indeed, it is expected that a detailed understanding of the gas phase chemistry will be reached by complementary theoretical and experimental work [54].…”

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

“…A lot of modeling work on the plasma chemistry for (U)NCD plasma deposition has been carried out by May, Ashfold, Mankelevich and colleagues [52,[62][63][64][65]. In [52,[62][63][64]], a 2D model was applied to calculate the gas phase composition in a hot filament (HF) and microwave (MW) plasma CVD system for (U)NCD growth.…”

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

“…Polycrystalline diamond films, among which ultrananocrystalline and nanocrystalline diamond (UNCD and NCD, respectively), produced by plasma deposition, have very promising tribological, biological and electrical applications [49][50][51]. NCD films are typically grown under conventional diamond PE-CVD conditions, i.e., a CH 4 /H 2 mixture at a ratio 1/99, and a substrate temperature above 1000 K [52], resulting in columnar diamond crystals with diameters below 500 nm [51]. UNCD films, on the other hand, embody ball-like diamond grains with sizes of typically a few nm [51], and can be grown in a hydrogen-poor plasma (CH 4 /Ar/H 2 in a ratio of 1/97/2) at a substrate temperature as low as 700 K [52].…”

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

“…NCD films are typically grown under conventional diamond PE-CVD conditions, i.e., a CH 4 /H 2 mixture at a ratio 1/99, and a substrate temperature above 1000 K [52], resulting in columnar diamond crystals with diameters below 500 nm [51]. UNCD films, on the other hand, embody ball-like diamond grains with sizes of typically a few nm [51], and can be grown in a hydrogen-poor plasma (CH 4 /Ar/H 2 in a ratio of 1/97/2) at a substrate temperature as low as 700 K [52]. A scheme of the PE-CVD process of nanostructured diamond can be found in figure 2.…”

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

“…In [52,[62][63][64]], a 2D model was applied to calculate the gas phase composition in a hot filament (HF) and microwave (MW) plasma CVD system for (U)NCD growth. The model consists of three parts, which describe (i) the activation of the gas mixture, (ii) the gas dynamics and chemical kinetics, and (iii) the gas-surface interactions.…”

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

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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: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

Section: Modeling the Plasma Chemistry For The Growth Of Nanostructurmentioning

confidence: 99%

See 3 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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Plasma‐Enhanced Chemical Vapor Deposition

Lau

2016

Medical Coatings and Deposition Technologies

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Molecular Dynamics Simulations of the Sticking and Etch Behavior of Various Growth Species of (Ultra)Nanocrystalline Diamond Films

Eckert

Neyts

Bogaerts

2008

Chemical Vapor Deposition

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The reaction behavior of species that may affect the growth of ultrananocrystalline and nanocrystalline diamond ((U)NCD) films is investigated by means of molecular dynamics simulations. Impacts of, H, and H 2 on clean and hydrogenated diamond (100)2 T 1 and (111)1 T 1 surfaces at two different substrate temperatures are simulated. We find that the different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) and (111) growth. Furthermore, predictions of which are the most important hydrocarbon species for (U)NCD growth are made.

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Reevaluation of the mechanism for ultrananocrystalline diamond deposition from Ar∕CH4∕H2 gas mixtures

Cited by 103 publications

References 39 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

Plasma‐Enhanced Chemical Vapor Deposition

Molecular Dynamics Simulations of the Sticking and Etch Behavior of Various Growth Species of (Ultra)Nanocrystalline Diamond Films

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