Charge Transfer via Temporary Bonds in $C_{60} + C_{60}^+$ Molecular Collisions

TL;DR

This paper develops a theoretical model for resonant charge transfer in $C_{60} + C_{60}^+$ collisions, emphasizing the role of temporary dumbbell-shaped fullerene molecules in extending interaction time and increasing charge transfer probability.

Contribution

The paper introduces a novel dynamic model using zero-range potentials to describe transient bonds and charge transfer in fullerene collisions, aligning with experimental data.

Findings

Transient dumbbell-shaped molecules increase charge transfer probability.

The model accurately predicts charge transfer cross sections at various velocities.

Results agree with quantum molecular dynamics simulations.

Abstract

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 interaction time, allowing for a greater probability of charge transfer. In our model, the dumbbell-shaped $(C_{60}-C_{60})^+$ quasi-molecule, that is temporarily formed during the collision, is described as a dynamic system of 120 zero-range potentials. Using this model, we calculate the exchange interaction between colliding fullerenes and subsequently determine the corresponding charge transfer cross sections at different collision velocities. Our results have been verified with data obtained from quantum molecular dynamics simulations of the fullerene collisions. The presented theoretical model provides a description of the experimental data on the $C_{60} + C_{60}^+ $ resonant charge transfer collision through the inclusion of the temporary formation of dumbbell-shaped fullerene molecules at low collision velocities.