Use Cases

Calculation of charge carrier mobilities in pristine molecular layers

This use case demonstrates a very basic, but important application of the Nanomatch Software Stack: the calculation of charge carrier mobilities in pure α-NPD and ALQ3 layers using Parametrizer, Deposit, QuantumPatch and the AnaMobi mobility solver.

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Computation of the electric field and temperature dependence of charge carrier mobilities in organic electronic layers

In this use case we present an extensive study of macroscopic properties of organic electronic layers. Based on the parameter-free multiscale approach, charge carrier simulations are performed with LightForge, and the dependence of the hole mobility on temperature and electric field is extracted. This approach can easily be extended to analyze doped systems or effects at interfaces.

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Electric field dependence of hole mobility in alpha-NPD

Figure from: F. Symalla “Modeling of charge and exciton dynamics in amorphous organic semicoductors”, Karlsruhe, 2017