Fullerene-C 60 and crown ether doped on C 60 sensors for high sensitive detection of alkali and alkaline earth cations

Stonewales Transformation Paths in Fullerene C 60

The mechanisms of formation of a metastable defect isomer of fullerene C 60 due to the Stone-Wales transformation are theoretically studied. It is demonstrated that the paths of the " dynamic " Stone-Wales transformation at a high (sufficient for overcoming potential barriers) temperature can differ from the two " adiabatic " transformation paths discussed in the literature. This behavior is du...

Superconductivity in alkali - intercalated C 60 '

Superconductivity observed in alkali-intercalated, solid C60 can be explained on the basis of conventional Bardeen-Cooper-Schrieffer theory. Intramolecular Jahn-Teller-type vibrations with high frequencies couple to conduction electrons in C60 7T" orbitals with strength V. The density of these states (N) is determined by the relatively weak intermolecular coupling. This results in a real space ...

On the energy spectrum of the C − 60 fullerene anion

Charge profile of surface doped C 60

We study the charge profile of a C60-FET (field effect transistor) as used in the experiments of Schön, Kloc and Batlogg. Using a tight-binding model, we calculate the charge profile treating the Coulomb interaction in a mean-field approximation. At low doping, the charge profile behaves similarly to the case of a continuous space-charge layer and becomes confined to a single interface layer fo...

Electronic and magnetic properties of endohedrally doped fullerene Mn@C(60): a total energy study.

We perform total energy calculations on a manganese atom encapsulated inside a C(60) cage using density functional theory with the generalized gradient approximation through three optimization schemes and along four paths inside the cage. We find that when Mn is located in the central region, its electronic and magnetic properties are not exactly the same as those of a free Mn atom due to weak ...