We present a computational algorithm for the construction of arbitrarily ordered films ranging from amorphous to polycrystalline and highly crystalline. We demonstrate its application for a systematic study of the electron mobility in C60 systems depending on the degree of ordering which is based on a full parameterization of the electronic properties. Additionally, we present a generalization for other molecular materials such as pentacene as well as organic blends.
We present a computational algorithm for the construction of arbitrarily ordered films ranging from amorphous to polycrystalline and highly crystalline. We demonstrate its application for a systematic study of the electron mobility in C60 systems depending on the degree of ordering which is based on a full parameterization of the electronic properties. Additionally, we present a generalization for other molecular materials such as pentacene as well as organic blends.