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

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arxiv 2010.11992 v2 pith:EI35SJX2 submitted 2020-10-22 cond-mat.mes-hall cond-mat.dis-nncond-mat.mtrl-scicond-mat.other

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

classification cond-mat.mes-hall cond-mat.dis-nncond-mat.mtrl-scicond-mat.other
keywords carbondiffusionexcitonsnanotubesdecantfilmstoolaccording
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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.

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