We present a force constants model for the vibrational modes in C60 dimer and polymer phases. The results of this model are used to calculate the nonresonant Raman spectra of infinitely long isolated C60 dimer and polymer peapod in the framework of bondpolarization theory by using the spectral moment’s method. The changes of the Raman spectrum in terms of the structure of the C60 molecules insi...

We report the observation of sequential encounters of fullerenes with C atoms in an extremely cold environment. Experiments were performed with helium droplets at 0.37 K doped with C60 molecules and C atoms derived from a novel, pure source of C atoms. Very high-resolution mass spectra revealed the formation of carbenes of the type C60(C:)n with n up to 6. Bridge-type bonding of the C adatoms t...

In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exp...

BACKGROUND Nanomaterials have numerous potential benefits for society, but the potential hazards of nanomaterials on human health are poorly understood. Nanomaterials are known to pass into the circulatory system in humans, causing vascular injuries that might play a role in the development of atherosclerosis. The present study aimed to determine the effects of chronic exposure to nanomaterials...

Hybrid nanostructured materials can exhibit different properties than their constituent components, and can enable decoupled engineering of energy conversion and transport functions. Novel means of building hybrid assemblies of crystalline C60 and carbon nanotubes (CNTs) are presented, wherein aligned CNT films direct the crystallization and orientation of C60 rods from solution. In these hybri...

We present an investigation of the reaction of ozone with C60 fullerene using electronic structure methods. Motivated by recent experiments of ozone exposure to a C60 film, we have characterized stationary points in the potential energy surface for the reactions of O3 with C60 that include both the formation of primary ozonide and subsequent dissociation reactions of this intermediate that lead...

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...

We have used dielectric spectroscopy to measure the frequency and temperature dependence of the lowfrequency ~0.5 mHz–100 kHz! complex dielectric function «(v) of thin C60 films. A small charge transfer occurs between the C60 and O2 molecules which occupy interstitial spaces of solid C60 exposed to oxygen ~or ambient air!. Due to the large size of the C60 molecules, this small charge transfer c...

Learning to engineer self-assembly would enable the precise organization of molecules by design to create matter with tailored properties. Here we demonstrate that proteins can direct the self-assembly of buckminsterfullerene (C60) into ordered superstructures. A previously engineered tetrameric helical bundle binds C60 in solution, rendering it water soluble. Two tetramers associate with one C...