相关论文: Does Like Dissolves Like Rule Hold for Fullerene a…
MXene and its derivatives have attracted considerable attention for potential application in energy storage like batteries and supercapacitors owing to its ultrathin metallic structures. However, the complexity of the ionic and electronic…
The chemical composition of Titan organic haze is poorly known. To address this issue, laboratory analogs named tholins are synthesized, and analyzed by methods requiring often an extraction process in a carrier solvent. These methods…
Solvent can occupy up to ~70% of macromolecular crystals and hence having models that predict solvent distributions in periodic systems could improve in the interpretation of crystallographic data. Yet there are few implicit solvent models…
We investigate the low energy behavior of local density of states in metallic C$_{60}$ polymers theoretically. The multichannel bosonization method is applied to electronic band structures evaluated from first principles calculation, by…
Lithium chloride water solution is a good option for solar neutrino detection. The $\nu_e$ charged-current (CC) interaction cross-section on $\rm{{}^{7}Li}$ is evaluated with new B(GT) experimental measurements. The total CC interaction…
The work reports transport and structure properties of the three pyridinium-based ionic liquids (RTILs) - N-butylpyridinium hexafluorophosphate [BPY][PF6], N-butylpyridinium trifluorosulfonate [BPY][TF] and N-butylpyridinium…
Newly observed enhanced linear optical features of fullerene solutions (Raman scattering and one-photon luminescence) are due to clusterization of fullerene molecules themselves as well as their composites with solvent molecules. A direct…
The development of novel task-specific ionic liquids (ILs) represents an essential challenge in modern organic and physical chemistries. Recently we reported surface-active ILs contained the two well-known organic cations…
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…
Cucurbiturils are particularly interesting to chemists, because these macrocyclic molecules are suitable hosts for an array of neutral and cationic species. It is believed that the host-guest binding originated from hydrophobic interactions…
We consider an electrolyte solution confined by semipermeable membranes in contact with a salt-free solvent. Membranes are uncharged, but since small counter-ions leak-out into infinite salt-free reservoirs, we observe a distance-dependent…
Electrical double layers play a key role in a variety of electrochemical systems. The mean free path of secondary electrons in aqueous solutions is on the order of a nanometer, making them suitable for probing of ultrathin electrical double…
We perform molecular dynamics simulations of a typical nanoporous-carbon based supercapacitors. The organic electrolyte consists in 1-ethyl-3-methyl--imidazolium and hexafluorophosphate ions dissolved in acetonitrile. We simulate systems at…
Metal-fullerene compounds are characterized by significant electron transfer to the fullerene cage, giving rise to an electric dipole moment. We use the method of electrostatic beam deflection to verify whether such reactions take place…
Theories for the effective polarisability of a small particle in a medium are presented using different levels of approximation: we consider the virtual cavity, real cavity and the hard-sphere models as well as a continuous interpolation of…
Since the first laboratory synthesis of C$_{60}$ in 1985, fullerene-related species have been proposed to interpret various astronomical features. After more than 25 years' efforts, several circumstellar and interstellar features have been…
We investigate mixed (50/50) clusters of parahydrogen and orthodeuterium at low temperature, by means of Quantum Monte Carlo simulations. Our results provide evidence of liquid-like behavior and partial isotopic separation in a cluster of…
A general method of separating isotopes by centrifuging dissolved chemical compounds in a liquid solution is introduced. This technique can be applied to almost all elements and leads to large separation factors. The method has been…
Electrolyte design is critical for enabling next-generation batteries with higher energy densities. Hydrofluoroether (HFE) solvents have drawn a lot of attention as the electrolytes based on HFEs showed great promise to deliver highly…
Is it possible to design a supramolecular cage that would "solvate" the excess electron in the same fashion in which several solvent molecules do that co-operatively in polar liquids? Two general strategies are outlined for "electron…