DECaNT: Simulation Tool for Diffusion of Excitons in Carbon Nanotube Films

S. W. Belling; Y. C. Li; A. H. Davoody; A. J. Gabourie; I. Knezevic

doi:10.1063/5.0034600

DECaNT: Simulation Tool for Diffusion of Excitons in Carbon Nanotube Films

Mesoscale and Nanoscale Physics 2021-04-01 v2 Disordered Systems and Neural Networks Materials Science Other Condensed Matter

Authors: S. W. Belling , Y. C. Li , A. H. Davoody , A. J. Gabourie , I. Knezevic

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Abstract

We present the numerical tool DECaNT (Diffusion of Excitons in Carbon NanoTubes) that simulates exciton transport in thin films of carbon nanotubes. Through a mesh of nanotubes generated using the Bullet Physics C++ library, excitons move according to an ensemble Monte Carlo algorithm, with the scattering rates that account for tube chirality, orientation, and distance. We calculate the diffusion tensor from the position--position correlation functions and analyze its anisotropy and dependence on the film composition, morphology, and defect density.

Keywords

exciton diffusion carbon nanotube films monte carlo simulation diffusion tensor nanotube chirality morphology

Cite

@article{arxiv.2010.11992,
  title  = {DECaNT: Simulation Tool for Diffusion of Excitons in Carbon Nanotube Films},
  author = {S. W. Belling and Y. C. Li and A. H. Davoody and A. J. Gabourie and I. Knezevic},
  journal= {arXiv preprint arXiv:2010.11992},
  year   = {2021}
}

Comments

Technique paper describing the open-source simulation tool DECaNT (https://github.com/li779/DECaNT); 13 pages and 13 figures

DECaNT: Simulation Tool for Diffusion of Excitons in Carbon Nanotube Films

Abstract

Keywords

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