The topological index of a graph G is a numeric quantity related to G which is invariant under automorphisms of G. The vertex PI polynomial is defined as v u v e uv PI (G) n (e) n (e). = = + ∑ Then Omega polynomial Ω(G,x) for counting qoc strips in G is defined as Ω(G,x) = ∑cm(G,c)x with m(G,c) being the number of strips of length c. In this paper, a new infinite class of fullerenes is construc...

An ordered mesoporous carbon, CMK-3, was synthesized using a mesoporous siliceous material, SBA-15, as the template. CMK-3 was characterized and used for the adsorption of fullerenes C60 and C70. It was found that the adsorption capacity of CMK-3 is 4 times higher than that of activated carbon. The adsorption equilibrium isotherms of C60 and C70 on CMK-3 were studied for both single and binary ...

Developing useful molecular systems, such as planar networks for novel molecular electronics, requires the ability to control the way molecules assemble at surfaces. Here we report how an oxide crystal surface can be used as a template to controllably order endohedral fullerenes, Er3N@C80, into two-dimensional (2D) open-grid arrays. The crystal surface is made of highly ordered oxide nanostruct...

Fullerenes are interesting model systems for probing the complex, fundamental electron dynamics and ionisation mechanisms of large molecules and nanoparticles. In this Tutorial Review we explain how recent experimental and theoretical advances are providing insight into the interesting phenomenon of thermal electron emission from molecular systems and the properties of hydrogenic, diffuse, exci...

We investigate the ionization of icosahedral fullerenes (C20, C60, C80, and C180) in an intense laser pulse using the S-matrix theory. The results obtained are in excellent agreement with the recent observations of unexpectedly high saturation intensities of the Buckminster fullerene and its multiply charged ions. Our analysis strongly suggests that the related phenomenon of suppressed ionizati...

First-principles calculations were performed to compare the energies of 29 different fullerene structures, with mass number from 60 to 240, and of eight nonhelical graphite tubes of different radii. A quantity called the planarity, which indicates the completeness of the pi-bonding, is the single most important parameter determining the energetics of these structures. Empirical equations were c...

Density functional theory calculations indicate that van der Waals fullerene dimers and larger oligomers can form interstitial electron traps in which the electrons are even more strongly bound than in isolated fullerene radical anions. The fullerenes behave like "super atoms", and the interstitial electron traps represent one-electron intermolecular σ-bonds. Spectroelectrochemical measurements...

Combining total energy and structure optimization calculations, we explored new possible crystalline phases of covalently bonded C60 fullerenes and determined their structural, elastic, and electronic properties. Motivated by reported observations that bulk structures of polymerized fullerenes may be stiffer than diamond, we have explored possible ways of fullerene polymerization and have ident...

Recent attempts at the synthesis of endohedral fullerenes by organic reactions, so-called "molecular surgery" methods, are surveyed. The creation of an opening on the surface of fullerene cages allowed insertion of He, H(2), H(2)O, or CO within the cages. An effective route to "suture" an opening was established to realize a new endohedral fullerene, H(2)@C(60). Further development of this oper...

In the present paper a method for generating fullerenes at random is presented. It is based on the well known Stone-Wales (SW) transformation. The method could be further generalised so that other trivalent polyhedra with prescribed properties are generated.