We present a molecular-dynamics study of the energetics and structures of very large carbon cage clusters, which has been performed using tight-binding methods, both empirical and ab initio. The use of an order-N scheme, which provides the solution of the electronic problem with an effort proportional to the size of the system, allowed us to study clusters with up to 3840 atoms. We have conside...

Since their discovery in 1985, fullerenes have been investigated extensively due to their unique physical and chemical properties. In recent years, studies on functionalized fullerenes for various applications in the field of biomedical sciences have seen a significant increase. The ultimate goal is towards employing these functionalized fullerenes in the diagnosis and therapy of human diseases...

Thus far, development of applications of fullerenes in biology has been hampered by the poor water solubility of fullerenes. In spite of such concerns, fullerenes have proved useful for a wide variety of biological applications. As derivatized and underivatized fullerenes continue to become increasingly available, additional applications and further development of those discussed in this articl...

Submitted for the MAR08 Meeting of The American Physical Society Fullerenes Can Induce Toxic Physical Changes of DNA FABIAN CZERWINSKI, LENE B. ODDERSHEDE, Niels Bohr Institute, Copenhagen, Denmark — Fullerenes are fascinating symmetric carbon nanostructures. Nowadays, they are widely used because of their characteristic physical and chemical properties. Until now research has mainly been focus...

The recently developed idea of analyzing complex networks in terms of node displacement due to vibration (Estrada and Hatano, Chem Phys Lett 486:166–170, 2010a) is applied to fullerenes. The fact that the ramafullerenes (fullerenes of Ramanujan graphs) are limited to fullerenes with relatively small number of C atoms is explained from the point of view of the node displacement. The node displac...

Fullerene chemistry is nowadays a well-established field of both theoretical and experimental investigations‎. This study considers the symmetry of small fullerenes cage C24 and C28‎. ‎Using PM3 program for C24 and C28 fullerenes, Oh and Td symmetry were confirmed, respectively‎. ‎ The mentioned algorithm to compute the automorphism group of these fullerenes with connectivity and geometry of th...

Highly functionalized fullerenes can be efficiently constructed by various techniques. However, the challenge is to synthesize highly symmetrical fullerenes. Recently, a number of X-ray structures have been disclosed showing the high symmetry of substituted fullerenes. By reviewing the major types of multi functionalized fullerenes through selected examples with a link to the structural assignm...

The two main electrode techniques for fullerenes production; the direct arc technique and the resistive heating of graphite rod were employed in this work. One of the electrodes was resistively heated to high temperature and subjected to arc discharge along its length by the second graphite rod. Fullerenes solid were extracted from carbon soot samples collected from an installed arc discharge s...

Silicon (Si) cage clusters, i.e., Si fullerenes doped with argon (Ar) atom are formed using a Si plasma. The Si plasma is generated by irradiation of an electron beam to a Si lump in Ar gas atmosphere. When the Ar gas pressure is 0.08 Pa or more, the Ar plasma is also generated by the collision of the electron beam and superimposed upon the Si plasma. The ionized Si agglutinates in the diffusio...

A fullerene F, is a 3-regular (or cubic) polyhedral carbon molecule for which the n vertices the carbons atoms are arranged in 12 pentagons and (n/210) hexagons. Only a finite number of fullerenes are expected to be, up to scale, isometrically embeddable into a hypercube. Looking for the list of such fullerenes, we first check the embeddability of all fullerenes F, for n < 60 and of all prefera...