Quantum crystals abound in the whole range of solid-state species. Below a certain
threshold temperature the physical behavior of rare gases (He 4 and Ne), molecular solids …

Carbon nanotubes, in which the two-dimensional hexagonal lattice of graphene is
transformed into a quasi-one-dimensional lattice by conserving the local bond arrangement …

SWNTs, produced via the HiPco process, display strong microwave absorption (1.01× 10-5
eV microwave field) with subsequent dramatic light emission, intense heat release (2000° …

We investigated the adsorption of a single atom, hydrogen and aluminum, on single-wall
carbon nanotubes from first principles. The adsorption is exothermic, and the associated …

Adsorption isotherms, isosteric heats of adsorption, and neutron diffraction measurements of
hydrogen, methane, argon, oxygen, and carbon dioxide adsorbed on single-wall carbon …

An overview is presented of the various phases predicted to occur when gases are
absorbed within a bundle of carbon nanotubes. The behavior may be characterized by an …

An extensive first-principles study of fully exohydrogenated zigzag (n, 0) and armchair (n, n)
single-wall carbon nanotubes (C n H n), polyhedral molecules including cubane …

The adsorptions of hydrogen both on square-packed single-walled carbon nanotube
(SWCNT) arrays and on isolated nanotubes were investigated by a combination of a …

The combination of PM3 semi-empirical method for geometry optimization, and ab initio DFT
(density functional theory) for energy calculation, is used to study the configurations of …

We have performed semiempirical (MNDO) as well as ab initio density-functional theory
calculations at T= 0 to analyze the hydrogen storage behavior in spheroidal C 60 and C 82 …