Department of Electrical and Electronic Engineering, The University of Hong Kong, Hong Kong, China.
Institute for Atomic and Molecular Sciences, Academia Sinica, Taipei, Taiwan.
Nat Mater. 2020 Jul;19(7):745-751. doi: 10.1038/s41563-020-0664-1. Epub 2020 Apr 20.
Carrier transport processes in assemblies of nanostructures rely on morphology-dependent and hierarchical conduction mechanisms, whose complexity cannot be captured by current modelling approaches. Here we apply the concept of complex networks to modelling carrier conduction in such systems. The approach permits assignment of arbitrary connectivity and connection strength between assembly constituents and is thus ideal for nanostructured films, composites and other geometries. Modelling of simplified rod-like nanostructures is consistent with analytical solutions, whereas results for more realistic nanostructure assemblies agree with experimental data and reveal conduction behaviour not captured by previous models. Fitting of ensemble measurements also allows the conduction properties of individual constituents to be extracted, which are subsequently used to guide the realization of transparent electrodes with improved performance. A global optimization process was employed to identify geometries and properties with high potential for transparent conductors. Our intuitive discretization approach, combined with a simple solver tool, allows researchers with little computational experience to carry out realistic simulations.
在纳米结构组件中，载流子输运过程依赖于形态相关和分层传导机制，而当前的建模方法无法捕捉到这种复杂性。在这里，我们将复杂网络的概念应用于此类系统中的载流子传导建模。该方法允许在组件之间任意分配连接和连接强度，因此非常适合于纳米结构薄膜、复合材料和其他几何形状。简化的棒状纳米结构的建模与解析解一致，而对于更现实的纳米结构组件，结果与实验数据一致，并揭示了以前模型无法捕捉到的传导行为。对整体测量的拟合还可以提取出各个组件的传导特性，随后可用于指导实现具有改进性能的透明电极。全局优化过程用于识别具有高透明导体潜力的几何形状和特性。我们直观的离散化方法结合简单的求解器工具，使具有少量计算经验的研究人员能够进行现实的模拟。
