Over 150 solvents have been probed to dissolve light fullerenes, but with a quite moderate success. We uncover unusual mutual polarizability of C-60 fullerene and selected room-temperature ionic liquids, which can be applied in numerous applications, e.g. to significantly promote solubility/miscibility of the highly hydrophobic C-60 molecule. We report electron density and molecular dynamics analysis supported by the state-of-the-art hybrid density functional theory and empirical simulations with a specifically refined potential. the analysis suggests the workability of the proposed scheme and opens a new direction to obtain well-dispersed fullerene containing systems. A range of common molecular solvents and novel ionic solvents are compar...
Solvation of fullerene C-60 by 1-ethyl-imidazolium chloride ionic liquid from ab initio Born-Oppenhe...
International audienceHighly fluorinated fullerenes with a chemical composition of C60F48 have been ...
In this work crystal properties, HOMO and LUMO energies, band gaps, density of states, as well as th...
International audienceThe association and dispersion of C60 fullerene and C60F48 fluorinated fullere...
Light fullerenes attract significant interest in pharmacy and medicine as drug vectors and antioxida...
AbstractStructural and energetic aspects of solvation of fullerene C60 in ionic liquids at room temp...
Structural and energetic aspects of solvation of fullerene C-60 in ionic liquids at room temperature...
The solvation of C60 fullerene by 24 different ionic liquids belonging to the imidazolium, piperazin...
Atomistic molecular dynamics simulations were employed to investigate the solvation properties of th...
Beyond carbon allotropes, other nanostructures such as fullerene B<sub>80</sub> are attracting a gro...
The solvation of C60 fullerene by 24 different ionic liquids belonging to the imidazolium, piperazin...
As a continuation of our previous work (<i>J. Phys. Chem. B</i>, <b>2014</b>, <i>118</i>, 11330) on ...
The ability to correlate fullerene solubility with experimentally or computationally accessible para...
Mechanisms underlying the impacts of interactions between carbon nanoparticles (CNPs) and ionic liqu...
Beyond carbon allotropes, other nanostructures such as fullerene B80 are attracting a growing intere...
Solvation of fullerene C-60 by 1-ethyl-imidazolium chloride ionic liquid from ab initio Born-Oppenhe...
International audienceHighly fluorinated fullerenes with a chemical composition of C60F48 have been ...
In this work crystal properties, HOMO and LUMO energies, band gaps, density of states, as well as th...
International audienceThe association and dispersion of C60 fullerene and C60F48 fluorinated fullere...
Light fullerenes attract significant interest in pharmacy and medicine as drug vectors and antioxida...
AbstractStructural and energetic aspects of solvation of fullerene C60 in ionic liquids at room temp...
Structural and energetic aspects of solvation of fullerene C-60 in ionic liquids at room temperature...
The solvation of C60 fullerene by 24 different ionic liquids belonging to the imidazolium, piperazin...
Atomistic molecular dynamics simulations were employed to investigate the solvation properties of th...
Beyond carbon allotropes, other nanostructures such as fullerene B<sub>80</sub> are attracting a gro...
The solvation of C60 fullerene by 24 different ionic liquids belonging to the imidazolium, piperazin...
As a continuation of our previous work (<i>J. Phys. Chem. B</i>, <b>2014</b>, <i>118</i>, 11330) on ...
The ability to correlate fullerene solubility with experimentally or computationally accessible para...
Mechanisms underlying the impacts of interactions between carbon nanoparticles (CNPs) and ionic liqu...
Beyond carbon allotropes, other nanostructures such as fullerene B80 are attracting a growing intere...
Solvation of fullerene C-60 by 1-ethyl-imidazolium chloride ionic liquid from ab initio Born-Oppenhe...
International audienceHighly fluorinated fullerenes with a chemical composition of C60F48 have been ...
In this work crystal properties, HOMO and LUMO energies, band gaps, density of states, as well as th...