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Nucleation of single-walled carbon nanotubes (SWCNTs) via chemical vapour deposition of methane on CoRu bimetallic nanoparticles is simulated using quantum chemical molecular dynamics. By varying the Ru loading in the catalyst, we show that…
In this study, the synthesis of multi-walled carbon nanotubes (MWCNTs) was carried out by chemical vapor deposition (CVD) using propane as the carbon source and Si as the catalyst support. The effect of CVD process variables such as…
We explore the role of Mo in Fe:Mo nanocatalyst thermodynamics for low-temperature chemical vapor deposition growth of single walled carbon nanotubes (SWCNTs). By using the size-pressure approximation and ab initio modeling, we prove that…
An oxygen assisted hydrocarbon chemical vapor deposition (CVD) method is developed to afford large-scale highly reproducible ultra high-yield growth of vertical single-walled carbon nanotubes (SWNT). It is revealed that reactive hydrogen…
Metal catalysts play a pivotal role in the growth of single-walled carbon nanotubes (SWCNTs), with binary metallic catalysts emerging as an efficient SWCNT synthesis strategy. Among these, iron (Fe), cobalt (Co), and their alloys are…
A parametric study of so-called "super growth" of single-walled carbon nanotubes(SWNTs) was done by using combinatorial libraries of iron/aluminum oxide catalysts. Millimeter-thick forests of nanotubes grew within 10 min, and those grown by…
Optimized growth of Single Wall Carbon Nanotubes requires a full knowledge of the actual state of the catalyst nanoparticle and its interface with the tube. Using Tight Binding based atomistic computer simulations, we calculate carbon…
The effect of Fe and Ni catalysts on the synthesis of carbon nanotubes (CNTs) using atmospheric pressure chemical vapor deposition (APCVD) was investigated. Field emission scanning electron microscopy (FESEM) analysis suggests that the…
Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display different carbon solubilities and chemical reactivities. In order to specifically assess the role of carbon solubility, we take advantage of the physical…
Single-walled carbon nanotubes (SWCNTs) are promising for nanoscale electronics and photonics, but practical deployment requires chirality control. Most catalytic chemical vapor deposition (CCVD) growth of SWCNTs proceeds on liquid metal…
Fuel cells offer an alternative to burning fossil fuels, but use platinum as a catalyst which is expensive and scarce. Cheap, alternative catalysts could enable fuel cells to become serious contenders in the green energy sector. One…
Given the high potential for applications utilizing the unique properties of single-walled carbon nanotubes (SWCNTs), there is considerable enthusiasm for addressing the challenges associated with synthesizing SWCNTs with specific…
Using first principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the…
Through a careful modeling of interactions, collisions, and the catalytic behavior, one can obtain important information about the initial stage of growth of single-wall carbon nanotubes (SWCNTs), where a state-of-the-art semi-empirical…
The mechanism of carbon nanotube (CNT) nucleation and growth has been a mystery for over 15 years. Prior models have attempted the extension of older classical transport mechanisms. In July 2000, a more detailed and accurate nonclassical,…
Various diameters of alumina-supported Fe catalysts are used to grow single-walled carbon nanotubes (SWCNTs) with chemical vapor decomposition. We find that the reduction of the catalyst size requires an increase of the minimum temperature…
The molecular dynamics method, based on an empirical potential energy surface, was used to study the effect of catalyst particle size on the growth mechanism and structure of single-walled carbon nanotubes (SWNTs). The temperature for…
Macroscopic fibers of carbon nanotubes (CNT) have emerged as an ideal architecture to exploit the exceptional properties of CNT building blocks in applications ranging from energy storage to reinforcement in structural composites.…
Few-layered potassium nickel and cobalt oxides show drastic differences in catalytic activity based on metal ion preorganization. Uniform compositions $[(\mathrm{CoO}_2/\mathrm{K})_6$ or $(\mathrm{NiO}_2/\mathrm{K})_6]$ show limited…
We prepared three ferrite nanocatalysts: (i) copper ferrite (CuFe2O4), (ii) ferrite where cobalt was substituted by nickel (NixCo1-xFe2O4, with x= 0, 0.2, 0.4, 0.6), and (iii) ferrite where nickel was substituted by zinc (ZnyNi1-yFe2O4 with…