Related papers: On the possibility to consider fullerene shell C60…

We demonstrate the prominent modification of the outer shell photoionization cross-section in noble gas (NG) endohedral atoms NG@F under the action of the fullerene F electron shell. This shell leads to two important effects, namely to…

We study the influence of different metallic substrates on the electron induced heating and heat dissipation of single C60 molecules in the junction of a low temperature scanning tunneling microscope. The electron current passing through…

In this study, based on density functional theory (DFT), we propose a new branch of pseudo-fullerenes which contain triple bonds with sp hybridization. We should call these new nanostructures fullerynes, according to IUPAC. We present four…

A simple, yet accurate solution of the electron-phonon coupling problem in C_{60} is presented. The basic idea behind it is to be found in the parametrization of the ground state electronic density of the system calculated making use of…

In the classical model of atomic polarizability, atomic charges are displaced by an applied electric field, assuming the electron cloud remains spherically symmetric but with its center shifted from the nucleus, thereby inducing an electric…

Fullerene complexes may play a key role in the design of future molecular electronics and nanostructured devices with potential applications in light harvesting using organic solar cells. Charge and energy flow in these systems is mediated…

A new mechanism of photodynamic therapeutic effect of fullerene solution is suggested. Spin flip of electrons in oxygen molecule in the vicinity of negative-positive ion pair of fullerene lays the foundation of high oxidative activity of…

The current paper presents the second part of the study devoted to composites formed by fullerene C60 and single-walled carbon nanotube ([C60-(4,4)] carbon nanobud). The formation of composites is considered from the basic points related to…

We present a theoretical description of resonant charge transfer in collisions of nano-particles, specifically for $C_{60} + C_{60}^+$ collisions. We predict that transient bonds between colliding fullerenes can significantly extend the…

We generalize the compact group approach to conducting systems to give a self-consistent analytical solution to the problem of the effective quasistatic electrical conductivity of macroscopically homogeneous and isotropic dispersions of…

The quasi-hexagonal phase of the two-dimensional fullerene network (qHPC$_{60}$), recently synthesized, has emerged as a stable carbon-based material with distinct structural and electronic features. In this work, we employed density…

Band structures of C60-polymers are studied changing conjugation conditions and the electron number. We use a Su-Schrieffer-Heeger type semiempirical model. In the neutral C60-polymer, electronic structures change among direct-gap insulator…

We suggest an explanation of the recently observed discrepancy between the experimental and theoretical results on ionization of atoms, encapsulated into the fullerenes by photons with the energies of about 80-190eV. On the ground of…

Transport properties of irradiated graphene (electrical conductivity and mobility) are numerically investigated using the real-space Kubo formalism. A micrometer-sized system consisting of millions of atoms with nanopores of various sizes…

Laboratory spectra of hydrogenated amorphous carbon (HAC) particles prepared under a variety of conditions show spectral features at 7.05, 8.5, 17.4 and 18.9 {\mu}m (1418, 1176, 575 & 529 cm-1) that have been associated with emission from…

For many years the faith of organic photovoltaics has been linked to the one of fullerene, since fullerene has been considered the electron-acceptor of choice in bulk heterojunctions solar cells. In the last years, the number of molecules…

In This work, we apply the Monte Carlo simulations to study the magnetic properties and compensation behavior of a core/shell double fullerene structure X_60 where the symbol X can be assigned to any magnetic atom. We focus our study on a…

C60 fullerides are uniquely flexible molecular materials that exhibit a rich variety of behavior, including superconductivity and magnetism in bulk compounds, novel electronic and orientational phases in thin films, and quantum transport in…

The interactions between atoms and molecules may be described by a potential energy function of the nuclear coordinates. Non-bonded interactions are dominated by repulsive forces at short range and attractive dispersion forces at long…

Scanning tunneling spectra on single C60 molecules that are sufficiently decoupled from the substrate exhibit a characteristic fine structure, which is explained as due to the dynamic Jahn-Teller effect. Using electron-phonon couplings…