fullerenes – TechConnect Briefs

Molecular Hydrogen Storage in Fullerenes for Use on Board Fuel Cell Vehicles – A Density Functional Theory Study

Durbin D.J., Allan N.L., Malardier-Jugroot C., Royal Military College, CA

Hydrogen gas is a potential fuel to replace gasoline on board vehicles. However, viable storage methods must be developed. Carbon nanomaterials are promising because they are cheap, lightweight and abundant but carbon-hydrogen physisorption is weak [...]

Molecular Hydrogen Storage in Fullerenes for Use on Board Fuel Cell Vehicles – A Density Functional Theory Study

Durbin D.J., Allan N.L., Malardier-Jugroot C., Royal Military College, CA

Hydrogen gas is a potential fuel to replace gasoline on board vehicles. However, viable storage methods must be developed. Carbon nanomaterials are promising because they are cheap, lightweight and abundant but carbon-hydrogen physisorption is weak [...]

Fluorescence of Water-Soluble Fullerenes in Biological Systems

Lin S., Jones D.X., Mount A.S., Ke P.C., Clemson University, US

The chemical and photophysical properties of fullerenes have been studied over the past two decades yet the biological applications of these nanoparticles remain limited. The major hurdle of integrating fullerenes with biological systems is their [...]

Structural and magnetic characterization of 3d metal clusters embedded in fullerite matrices

Teodorescu C.-M., Macovei D., National Institute of Materials Physics, RO

Metal clusters embedded in fullerite matrices are produced by high vacuum co-evaporation. XPS and X-ray absorption revealed that the metal clusters are protected against contamination. XRD analysis is used to determine the average custer size, [...]

Computations on Ba@C74 and Yb@C74

Slanina Z., Nagase S., Institute for Molecular Science, JP

Computations of C74 and Yb@C74 are reported. C74 exhibits just one IPR (isolated-pentagon-rule) structure, however, there are several C74 non-IPR cages with a relatively low energy. C74 is represented here by six cages. The computations [...]

Model for Compression of Fullerenes and Carbon Nanotubes

Jindal P., Jindal V.K., Jindal P., Jindal V.K., Panjab University, IN

This abstracts highlights methodology to use fullerene and carbon nanotubes to utilize their empty space for high pressure absorbing capabilities.

Computing Metallofullerenes as Agents of Nanoscience: Gibbs Energy Treatment of Ca@C72, Ca@C82, and La@C82

Slanina Z., Kobayashi K., Nagase S., Institute for Molecular Science, JP

Various endohedral cage compounds have been suggested as possible candidate species for molecular memories. One approach is built on endohedral species with two possible location sites of the encapsulated atom while another concept of quantum [...]

Growth and Structure of Fullerene Thin Films and Other Carbon Nanomaterials

Katz E.A., Prilutskiy O., Faiman D., Shtutina S., Ezersky V., Mogilko E., Ben-Gurion University of the Negev, IL

The present paper reports relationships between structural characteristics of carbon materials and conditions of their production. C60 thin films were grown by a vacuum deposition technique on various substrates. We demonstrate effect of the substrate [...]

MonteCarlo Simulations of Carbon-based Structures Based on Extended Brenner Potential

Petukhov A.V., Fasolino A., Research Institute for Materials, Institute of Theoretical Physics, University of Nijmegen, NL

Extended grand-canonical off-lattice Monte Carlo simulations of the (100) and (111) diamond surfaces have shown that the Brenner potential is extremely accurate in describing the structural properties at surfaces, supporting the recent predictions of new [...]