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

TL;DR

DECaNT is a numerical simulation tool that models exciton diffusion in carbon nanotube films, accounting for morphology, chirality, and defects to analyze anisotropic transport properties.

Contribution

The paper introduces DECaNT, a novel simulation tool that accurately models exciton transport in nanotube films considering complex morphological factors.

Findings

Diffusion tensor varies with film composition and defects

Anisotropy in exciton diffusion depends on nanotube orientation

Simulation results match experimental observations

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.