相关论文: Insights into carbon nanotube nucleation: Cap form…
Symmetric minima of surface potential energy of a nanocatalyst act as nucleation sites for chirally selective initial growth of single walled carbon tubes at low temperatures. The nucleation sites are sites of maximum coordination number of…
The nucleation and growth of single wall carbon nanotubes from a carbon-saturated catalytic particle surrounded by a single sheet of graphene is described qualitatively by using a very restricted number of elementary processes, namely…
Growth of carbon nanotubes (CNTs) was performed by atmospheric pressure chemical vapour deposition (APCVD) of propane on Si(111) with a pre-treated Ni overlayer acting as a catalyst. Prior to the growth of CNTs, a thin film of Ni was…
The unique topology and exceptional properties of carbon nanoscrolls (CNSs) have inspired unconventional nano-device concepts, yet the fabrication of CNSs remains rather challenging. Using molecular dynamics simulations, we demonstrate the…
A simple model for the nucleation and growth of single wall carbon nanotubes from a graphene sheet at the surface of a metallic catalyst saturated in carbon is developed. It enables to predict the geometry and energy of tube embryos of all…
By sequential feeding of catalyst materials, it is revealed that the active growth sites are at the bottom of the carbon nanotubes (CNTs), and that catalyst particles are constantly encapsulated into nanotubes from the bottom. This gives a…
The nucleation of carbon caps on small nickel clusters is studied using a tight binding model coupled to grand canonical Monte Carlo simulations. It takes place in a well defined carbon chemical potential range, when a critical…
The electronic properties of carbon nanotubes are governed by their chirality, specified by the integer indices (n,m). While chirality-controlled synthesis has achieved notable successes, theoretical understanding remains predominantly…
Carbon nanotubes have properties depending on the arrangement of carbon atoms on the tube walls, called chirality. Also it has been tried to grow nanotubes of only one chirality for more than a decade it is still not possible today. A…
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 cutting of single-walled carbon nanotubes by an 80 keV electron beam catalyzed by nickel clusters is imaged in situ using aberration-corrected high-resolution transmission electron microscopy. Extensive molecular dynamics simulations…
In order to understand the first stages of the nucleation of carbon nanotubes in catalytic processes, we present a tight-binding Monte Carlo study of the stability and cohesive mechanisms of different carbon structures deposited on nickel…
MD simulations based on an empirical potential energy surface were used to study the nucleation of bamboo-like carbon nanotubes (BCNTs). The simulations reveal that inner walls of the bamboo structure start to nucleate at the junction…
Spherical-cap-shaped interfacial nanobubbles (NBs) forming on hydrophobic surfaces in aqueous solutions have extensively been studied both from a fundamental point of view and due to their relevance for various practical applications. In…
A model for the formation of carbon nanotubes (CNTs) and layered graphene in an arc discharge method is developed on the basis of observed erosion of graphite anode under various experimental conditions and analyses of the morphology of the…
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.…
During the catalytic synthesis of graphene, nanotubes, fibers, and other nanostructures, many intriguing phenomena occur, such as phase separation, precipitation, and analogs of capillary action. We demonstrate that catalytic nanoparticles…
The evolution of a continuous Fe(NO3)3 catalyst film was observed by in-situ annealing in a Transmission Electron Microscope (TEM). Such catalysts are routinely used in the catalytic growth of carbon nanotubes. The experiments reveal that…
Understanding the role of cap structure during the nucleation and growth of single-walled carbon nanotubes (SWCNTs) is essential for achieving chirality-controlled synthesis. In this work, we propose a novel and intuitive algorithm to…
Carbon nanotubes (CNT) hold enormous technological promise. It can only be harnessed if one controls in a practical way the CNT chirality, the feature of the tubular carbon topology that governs all the CNT properties---electronic, optical,…