Golden fullerenes have recently been identified by photoelectron spectra by Bulusu et al. [S. Bulusu, X. Li, L.-S. Wang, X. C. Zeng, PNAS 2006, 103, 8326-8330]. These unique triangulations of a sphere are related to fullerene duals having exactly 12 vertices of degree five, and the icosahedral hollow gold cages previously postulated are related to the Goldberg-Coxeter transforms of C20 starting...

in this work, two parametric l-systems have been introduced to generate the figures of two series of nanostructures. these series consist of different spherical fullerenes with various number of carbon atoms. by specifying a parameter in each series a spherical fullerene can be determined. the members of the first series are c60 , c240 , c540 , c940 ,… which can be produced by applying paramete...

In this work, two parametric L-Systems have been introduced to generate the figures of two series of nanostructures. These series consist of different spherical fullerenes with various number of carbon atoms. By specifying a parameter in each series a spherical fullerene can be determined. The members of the first series are C60 , C240 , C540 , C940 ,… which can be produced by applying paramete...

We have performed unconstrained search for low-lying structures of medium-sized silicon clusters Si(31)-Si(40) and Si(45), by means of the minimum-hopping global optimization method coupled with a density-functional based tight-binding model of silicon. Subsequent geometric optimization by using density-functional theory with the PBE, BLYP, and B3LYP functionals was carried out to determine the...

Rare earth ions are the backbone of a wide range of optoelectronic applications, ranging from solid-state lasers and fiber amplifiers to silicon photonics. So far experiments on single rare-earth ions have been elusive because of the long excited state lifetimes and low absorption cross sections. Here we present the first single molecule photoemission study of an endohedral metallofullerene (Y3...

Density functional techniques including gradient corrections are used to investigate the relative energies of the ring, bowl (corannulene-like), and cage ( fullerene-like) isomers of Cl,,. In agreement with previous studies, the local density approximation yields the cage to be the most stable isomer with the bowl and ring forms being significantly higher in energy. However, the inclusion of gr...

The fullerene-50 is a 'magic number' cage according to the 2(N + 1)(2) rule. For the three lowest isomers of C50 with trigonal and pentagonal symmetries, we calculate the sphericity index, the spherical parentage of the occupied π-orbitals, and the current density in an applied magnetic field. The minimal energy isomer, with D3 symmetry, comes closest to a spherical aromat or a superaromat. In ...

Experimental and theoretical studies on fullerene cages are the topic of several investigations in recent years [ 1-l 11. Since the chemistry of fullerenes is increasingly becoming important and theoretical studies of these cages are on the increase it is necessary to have several mathematical procedures for the study of topological properties of these cages. Topological, graph theoretical and ...