In the field of organic semiconductors researchers and manufacturers are faced with a wide range of potential molecules. This work presents concepts for simulation-based predictions of material characteristics starting from chemical stuctures. The focus lies on charge transport – be it in microscopic models of amorphous morphologies, lattice models or large-scale device models.

An extensive introductory review, which also includes experimental techniques, makes this work interesting for a broad readership.

Contents:

Organic Semiconductor Devices

Experimental Techniques

Charge Dynamics at Dierent Scales

Computational Methods

Energetics and Dispersive Transport

Correlated Energetic Landscapes

Microscopic, Stochastic and Device Simulations

Parametrization of Lattice Models

Drift–Diusion with Microscopic Link