English

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

Chemical Physics 2023-11-29 v2

Abstract

We present a theoretical description of resonant charge transfer in collisions of nano-particles, specifically for C60+C60+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 (C60C60)+(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 C60+C60+C_{60} + C_{60}^+ resonant charge transfer collision through the inclusion of the temporary formation of dumbbell-shaped fullerene molecules at low collision velocities.

Keywords

Cite

@article{arxiv.2307.11912,
  title  = {Charge Transfer via Temporary Bonds in $C_{60} + C_{60}^+$ Molecular Collisions},
  author = {Jonathan Smucker and John A. Montgomery and Mitchell Bredice and Michael G. Rozman and Emmanuel Yankson and Robin Côté and Vasili Kharchenko},
  journal= {arXiv preprint arXiv:2307.11912},
  year   = {2023}
}

Comments

5 pages (6 if you include citations), 3 figures