The paper reviews the principles of interaction of energetic particles with solid carbon and
carbon nanostructures. The reader is first introduced to the basic mechanisms of radiation …

This review is about potential energy surfaces. In general, the potential energy, of a system
of N interacting particles, is a function of 3N spatial coordinates: V= V ({rj}),(1 5 i 5 N), or V= V …

Fullerene single-wall nanotubes (SWNTs) were produced in yields of more than 70 percent
by condensation of a laser-vaporized carbon-nickel-cobalt mixture at 1200° C. X-ray …

Density functional theory and quantum Monte Carlo simulations reveal that the structure of
the Stone-Wales (SW) defect in graphene is more complex than hitherto appreciated. Rather …

Although fullerenes can be efficiently generated from graphite in high yield, the route to the
formation of these symmetrical and aesthetically pleasing carbon cages from a flat graphene …

Diffusion, coalescence, and reconstruction of vacancy defects in graphene layers are
investigated by tight-binding molecular dynamics (TBMD) simulations and by first principles …

The energies of point defects in graphite have been calculated from first principles. The
various interplane interstitial configurations are found to have a wider range of energies than …

In this paper we will consider some of the methods involved in carrying out density functional
calculations within the framework of localised basis sets, specifically those of Gaussian type …

Carbon nanotubes (with and without encapsulated material) as well as nanoparticles and
onion-like structures have been generated by electrolysis in molten alkali halide salts using …

The uncatalyzed edge growth of carbon nanotubes was investigated by first-principles
molecular dynamics simulations. At experimental temperatures the open end of single …