论文标题

脱倾:模拟工具用于在碳纳米管膜中扩散激素

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

论文作者

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

论文摘要

我们介绍了数值工具倾向(激发子在碳纳米管中的扩散),该数值模拟了碳纳米管薄膜中的激子传输。通过使用子弹物理C ++库生成的纳米管网的网格,激子根据集合蒙特卡洛算法移动,其散射速率解释了管道性手性,方向和距离。我们从位置相关函数中计算扩散张量,并分析其各向异性以及对膜组成,形态和缺陷密度的依赖。

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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