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

  • J. Smucker
  • , J. A. Montgomery
  • , M. Bredice
  • , M. G. Rozman
  • , E. Yankson
  • , R. Côté
  • , V. Kharchenko
  • University of Connecticut
  • 60 Garden Street

Research output: Contribution to journal › Article › peer-review

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.

Original languageEnglish
Article numberL060801
JournalPhysical Review A
Volume109
Issue number6
DOIs
StatePublished - Jun 2024

ASJC Scopus Subject Areas

  • Atomic and Molecular Physics, and Optics

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