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Charge transfer via temporary bonds in C60 + C60+ molecular collisions

J. Smucker*, J. A. Montgomery, Jr., M. Bredice, M. G. Rozman, and E. Yankson

R. Côté

V. Kharchenko

  • *jonathan.smucker@uconn.edu

Phys. Rev. A 109, L060801 – Published 3 June, 2024

DOI: https://doi.org/10.1103/PhysRevA.109.L060801

Abstract

We present a theoretical description of resonant charge transfer in collisions of nanoparticles, specifically for C60+C60+ 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 (C60−C60)+ quasimolecule, 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+ resonant charge-transfer collision through the inclusion of the temporary formation of dumbbell-shaped fullerene molecules at low collision velocities.

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