Nanotechnology offers many societal benefits and this have prompted the rapid growth of engineered nanomaterials. Fullerene (C60) due to its unique properties has become an important nanomaterial in biomedical and biotechnological applications. Once in water, Fullerene forms stable suspended aggregates and thus become bioavalable to aquatic biota. The fate and transport of fullerene in the aqua...

Obtaining an understanding, at the atomic level, of the interaction of nanomaterials with biological systems has recently become an issue of great research interest. Here we report on the molecular dynamics study of the translocation of fullerene C60 and its derivative C60(OH)20 across a model cell membrane (dipalmitoylphosphatidylcholine or DPPC bilayer). The simulation results indicate that, ...

In this study, four kinds of structures—[6,6]-phenyl-C61-butyric acid methyl ester (PCBM), PCBM/fullerene (C60), C60/bathocuproine (BCP), and PCBM/C60/BCP—were used as electron transport layers, and the structure, and optical and electronic behaviors of MAPbBr3 perovskite layers after annealing treatments were observed. The experimental results indicate that PCBM/C60 bi-layer structure is accep...

In this paper, a multiscale method is developed to predict Young's modulus of fullerene-reinforced polymer nanocomposites (FRPNs). Polymethyl methacrylate chosen as the matrix, while C60 fullerene considered reinforcement. First, molecular dynamics (MD) simulations are conducted calculate Young nanocomposite unit cell with different weight fractions fullerene. Then, micromechanics model for com...

A one-handed 310 -helical hexapeptide is efficiently encapsulated within the helical cavity of st-PMMA when a fullerene (C60 ) derivative is introduced at the C-terminal end of the peptide. The encapsulation is accompanied by induction of a preferred-handed helical conformation in the st-PMMA backbone with the same-handedness as that of the hexapeptide to form a crystalline st-PMMA/peptide-C60 ...

The electron-phonon and Coulomb interactions in C6O and larger fullerene spheres are analyzed. The coupling between electrons and intramolecular vibrations give corrections 1—10 meV to the electronic energies for C60, and scales as R in larger molecules where R is the radius of the fullerene sphere. The energies associated with electrostatic interactions are of order 1—4 eV in C60 and scale as ...

Fullerene-based molecular heterojunctions such as the [6,6]-pyrrolidine-C60 donor-acceptor conjugate containing triphenylamine (TPA) are potential materials for high-efficient dye-sensitized solar cells. In this work, we estimate the rate constants for the photoinduced charge separation and charge recombination processes in TPA-C60 using the unrestricted and time-dependent DFT methods. Differen...

This dissertation analyzes the feasibility and advantages of molecular functionalization of scanning tunneling microscope (STM) probes with buckminsterfullerenes. The C60 molecules are adsorbed onto the tunneling region of a STM tip by rastering the tip in a thin lm of C60 vacuum deposited on graphite. The individual tip-adsorbed molecules are subsequently imaged in situ by scanning the fullere...

The synthesis of azafullerene C59N is realized through a nitrogen plasma irradiation method, which is confirmed by the analysis of mass spectroscopy. A plasma consisting of a fullerene negative ion C60 and the azafullerene positive ion C59N��C60-C59N plasma��is generated by means of an electron beam ionization. C60 and C59N ions are selectively irradiated to single-walled carbon nanotubes (SWNT...

C60 whiskers are needle-like fullerene structures, formed through polymerisation of individual C60 molecules. A lowcost, room temperature technique for their growth has recently been demonstrated and subsequent electrical characterisation have revealed promising results. Despite the potential for improved electron transport at smaller diameters, data on electrical resistivity have so far been l...