Systematic molecular dynamics simulations based on the self-consistent charge density functional tight-binding method have been performed for the molecular collisions inside clusters of fullerene molecules, after prompt atom knockouts by the keV ions. The thermodynamic and kinetic stabilities, as well as the bonding features, have been investigated for the most stable dumbbell dimers C+118, C+119 and C+12
We present the results of an atomic-scale simulation of the confinement of small carbon clusters ins...
We have measured the kinetic energy released in the unimolecular dissociation of fullerene ions, C(n...
Combining total energy calculations with a search of phase space, we investigate the microscopic fus...
International audienceDumbbell-shaped fullerene dimers C-118(+) and C-119(+) have recently been obse...
We report highly selective covalent bond modifications in collisions between keV alpha particles and...
We present the results of classical molecular dynamics simulations of collision-induced fusion and f...
Fullerene Collisions have been studied experimentally and computationally since 1996 by Campbell et ...
The following article appeared in Journal of Chemical Physics 139.3 (2013): 034309 and may be found ...
International audienceIn this work, we show that keV-ions are able to remove single carbon atoms fro...
9 pags., 6 figs., 1 tab.Abstract: We present the results of classical molecular dynamics simulations...
One of the most puzzling aspects of fullerenes is how such complicated symmetric molecules are forme...
In this thesis, we present results from detailed gas phase studies of intrinsic properties of fuller...
Motivated by the possibility of observing fullerene binding, we have performed preliminary tight-bin...
We find that the most stable fullerene isomers, C-70-C-94, form efficiently in close-to central coll...
Recent experiments have shown that heavy ion or electron irradiation induces the nucleation of diamo...
We present the results of an atomic-scale simulation of the confinement of small carbon clusters ins...
We have measured the kinetic energy released in the unimolecular dissociation of fullerene ions, C(n...
Combining total energy calculations with a search of phase space, we investigate the microscopic fus...
International audienceDumbbell-shaped fullerene dimers C-118(+) and C-119(+) have recently been obse...
We report highly selective covalent bond modifications in collisions between keV alpha particles and...
We present the results of classical molecular dynamics simulations of collision-induced fusion and f...
Fullerene Collisions have been studied experimentally and computationally since 1996 by Campbell et ...
The following article appeared in Journal of Chemical Physics 139.3 (2013): 034309 and may be found ...
International audienceIn this work, we show that keV-ions are able to remove single carbon atoms fro...
9 pags., 6 figs., 1 tab.Abstract: We present the results of classical molecular dynamics simulations...
One of the most puzzling aspects of fullerenes is how such complicated symmetric molecules are forme...
In this thesis, we present results from detailed gas phase studies of intrinsic properties of fuller...
Motivated by the possibility of observing fullerene binding, we have performed preliminary tight-bin...
We find that the most stable fullerene isomers, C-70-C-94, form efficiently in close-to central coll...
Recent experiments have shown that heavy ion or electron irradiation induces the nucleation of diamo...
We present the results of an atomic-scale simulation of the confinement of small carbon clusters ins...
We have measured the kinetic energy released in the unimolecular dissociation of fullerene ions, C(n...
Combining total energy calculations with a search of phase space, we investigate the microscopic fus...