DECaNT:碳纳米管薄膜中激子扩散的模拟工具

S. Belling, Y. C. Li, A. Davoody, A. Gabourie, I. Knezevic
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引用次数: 0

摘要

我们提出了一个数值工具DECaNT(激子在碳纳米管中的扩散)来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,激子根据集合蒙特卡罗算法移动,散射率决定了管的手性、方向和距离。我们从位置-位置相关函数中计算扩散张量,并分析其各向异性以及对薄膜成分、形貌和缺陷密度的依赖。
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DECaNT: Simulation tool for diffusion of excitons in carbon nanotube films
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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