C is an extraordinary element, considering the diversity of materials it forms. Ranging from sparkling gems to sooty filth, these materials have been studied and used for centuries, and carbon science was long thought to be a mature field. So when a whole new class of carbon materials— the fullerenes, such as C6o— appeared in the last decade, many scientists were surprised. The consequences hav...

Using density-functional theory calculations, we investigate the addition energy (AE) of quantum dots formed of fullerenes or closed single-wall carbon nanotubes. We focus on the connection between symmetry and oscillations in the AE spectrum. In the highly symmetric fullerenes the oscillation period is large because of the large level degeneracy and Hund's rule. For long nanotubes, the AE osci...

A partially structure-preserving method for sparse symmetric matrices is proposed. Computational results on the permanents of adjacency matrices arising from molecular chemistry are presented. The largest adjacency matrix of fullerenes computed before is that of C60 with a cost of several hours on supercomputers, while only about 6 min on an Intel Pentium PC (1.8 GHz) with our method. Further n...

A method is introduced for simple calculation of charge transfer between very large solvated organic dimers (fullerenes here) from isolated dimer calculations. The individual monomers in noncentrosymmetric dimers experience different chemical environments, so that the dimers do not necessarily represent bulk-like molecules. Therefore, we apply a delocalizing bias directly to the Fock matrix of ...

Assembling clusters on surfaces has emerged as a novel way to grow thin films with targeted properties. In particular, it has been proposed from experimental findings that fullerenes deposited on surfaces could give rise to thin films retaining the bonding properties of the incident clusters. However the microscopic structure of such films is still unclear. By performing quantum molecular dynam...

The C60 fullerenes are fascinating objects and even many years after their discovery the photo-physics of C60 is still full of surprises. With their well defined, highly symmetric structure the fullerenes are challenging model systems and examples of an interface between atoms or small molecules and the solid state. The 60 delocalized π electrons in the C60 fullerene give rise to interesting bu...

The new revolution in dental materials is due to use of nanomaterials in dentistry. Graphene is one of the carbon nanoallotrope that has the potential to enhance properties of materials used in dentistry. The use of this 2D crystal is dentistry is virtue to its typical properties that provides improved performance, extended functionality in materials. In this paper, a review is done to study 3D...

We use the doped Fullerenes as an example of how realistic systems can be described by simple models. Starting from the band structure we set up a tight-binding model that describes the t1u conduction band. Adding correlation terms we arrive at a generalized Hubbard Hamiltonian that we treat using quantum Monte Carlo. To address the problem of superconductivity in the doped Fullerenes, we study...

This article reviews the recent progress of fullerene-tethered oligothiophenes as advanced molecular electronics materials. By covalent linkage with fullerenes, oligothiophenes can be modified into intelligent functional materials. In addition to the characteristics of oligothiophenes as well as fullerenes, these linkage systems show intriguing physical properties such as photoinduced electron ...

Carbon nanotubes (CNTs) belong to the family of synthetic carbon allotropes and are characterized by a network of sp2 hybridized carbon atoms. The one dimensional (1D) carbon nanotubes can thus be queued between their zero dimensional relatives fullerenes and the two dimensional (2D) relative graphene. The structure of nanotubes has first been described as helical microtubules of graphitic carb...