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DECaNT: Simulation tool for diffusion of excitons in carbon nanotube films
Journal of Applied Physics ( IF 3.2 ) Pub Date : 2021-02-24 , DOI: 10.1063/5.0034600
S. W. Belling 1 , Y. C. Li 1 , A. H. Davoody 1 , A. J. Gabourie 1 , I. Knezevic 1
Affiliation  

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.

中文翻译:

DECaNT:激子在碳纳米管薄膜中扩散的仿真工具

我们介绍了数值工具DeCANT(激子在碳纳米管中的扩散),它可以模拟激子在碳纳米管薄膜中的传输。通过使用Bullet Physics C ++库生成的纳米管网格,激子根据整体Monte Carlo算法运动,其散射速率说明了管的手性,方向和距离。我们从位置-位置相关函数计算扩散张量,并分析其各向异性以及对薄膜成分,形态和缺陷密度的依赖性。
更新日期:2021-02-25
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