相关论文: Intermolecular bond stability of C60 dimers and 2D…

We investigate the dimerization and fusion of C60 molecules to form various C60 dimers when pushed against each other at several inter-molecular distances. We study the stability of this dimerized C60 molecule based on its binding strength…

The infrared- and Raman-active vibrational modes of C60 were measured in the various structural states of Rb1C60. According to earlier studies, Rb1C60 has an $fcc$ structure at temperatures above ~100C, a linear chain polymer orthorhombic…

We present a study on the structural, spectroscopic, conducting and magnetic properties of Mg5C60, a two dimensional (2D) fulleride polymer. The polymer phase is stable up to the exceptionally high temperature of 823 K. Infrared and Raman…

We investigate the possible binding configurations of pairs of C60 molecules when pushed against each other. Tersoff potential, which represents intramolecular interactions well, has been used to calculate potential energies. We begin…

The high-pressure Electron Spin Resonance (ESR) measurements were preformed on TDAE-C$_{60}$ single crystals and stability of the polymeric phase was established in the $P - T$ parameter space. At 7 kbar the system undergoes a ferromagnetic…

The polymer relaxation dynamic of a sample, stretched up to the stress hardening regime, is measured, at room temperature, as a function of the strain $\lambda$ for a wide range of the strain rate $\dot\gamma$, by an original dielectric…

Variations in the band structures of C60-polymers are studied, when conjugation conditions and the electron number are changed. We use a semiempirical model with the Su-Schrieffer-Heeger type electron-phonon interactions. In the neutral…

To investigate whether the dense Kondo compound CeB6 might evolve into a topological insulator under sufficient pressure, four-point electrical resistivity measurements have been carried out over the temperature range 1.3 K to 295 K in a…

Several dimerization products of fullerene C60 are presented and thoroughly characterized with a quantum chemical DFT model augmented by dispersion. We reanalyze and expand significantly the number of known dimers from 12 to 41. Many of the…

New monolayer 2D carbon structures, namely qHPC60 and qTPC60, were recently synthesized by covalently bonding C60 polymers. Here, we carried out Reactive (ReaxFF) molecular dynamics simulations to study the thermodynamic stability and…

The current paper opens a series of papers that are aimed at the determination of barriers that govern the covalent coupling between partners of C60-based composites consisting of two or more fullerenes C60 (C60 dimer and oligomers) (Part…

The thermal stability of the (C_20)_2 cluster dimer consisting of two C_20 fullerenes is examined using a tight-binding approach. Molecular dynamics simulations of the (C_20)_2 dimer at temperatures T = 2000 - 3500 K show that the finite…

Dielectric spectroscopy measurements over a broad range of temperature and pressure were carried out on poly(oxybutylene) (POB), a type-A polymer (dielectrically-active normal mode). There are three dynamic processes appearing at lower…

We present results of molecular dynamics (MD) simulations for a non-entangled polymer melt confined between two completely smooth and repulsive walls, interacting with inner particles via the potential $U_{\rm wall}\myeq (\sigma/z)^9$,…

Self-assembled membranes of amphiphilic diblock copolymers enable comparisons of cohesiveness with lipid membranes over the range of hydrophobic thicknesses d=3-15 nm. At zero mechanical tension the breakdown potential V_c for polymersomes…

Orientational glasses with CO molecules occupying 26% and 90% of the octahedral interstitial sites in the C60 lattice have been investigated by the dilatometric method in a temperature interval of 2.5 - 23 K. At temperatures 4 - 6 K the…

C60-C8H8 and C70-C8H8 are prototypes of rotor-stator cocrystals. We present infrared and Raman spectra of these materials and show how the rotor-stator nature is reflected in their vibrational properties. We measured the vibrational spectra…

The recent experimental fabrication of monolayer and few-layer C60 polymers paves the way for synthesizing two-dimensional cluster-assembled materials. Compared to atoms with the SO(3) symmetry, clusters as superatoms (e.g., C60) have an…

We examine the resistivity and thermopower of single crystal specimens of the pyrochlore oxide Cd2Re2O7 at pressures up to 2GPa. Thermopower proves to be a sensitive tool in the study of the phase diagram of Cd2Re2O7. The 200K…

We report the measurement of infrared transmission of large C60 single crystals. The spectra exhibit a very rich structure with over 180 vibrational absorptions visible in the 100 - 4000 cm-1 range. Many silent modes are observed to have…