Modelling electrical conduction in nanostructure assemblies through complex networks
Journal
Nature Materials
Journal Volume
19
Journal Issue
7
Pages
745-751
Date Issued
2020
Author(s)
Yao H., Hsieh Y.-P., Kong J., Hofmann M.
Abstract
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. ? 2020, The Author(s), under exclusive licence to Springer Nature Limited.
Subjects
Global optimization; Nanocomposite films; Nanostructures; Transparent electrodes; Carrier transport process; Conduction Mechanism; Conduction properties; Connection strength; Electrical conduction; Nanostructured Films; Realistic simulation; Transparent conductors; Complex networks; nanomaterial; chemical model; chemistry; computer simulation; electric conductivity; molecular model; Computer Simulation; Electric Conductivity; Models, Chemical; Models, Molecular; Nanostructures
Type
journal article