Modeling charge transfer at organic donor-acceptor semiconductor interfaces

We develop an integer charge transfer model for the potential steps observed at interfaces between donor and acceptor molecular semiconductors. The potential step can be expressed as the difference between the Fermi energy pinning levels of electrons on the acceptor material and holes on the donor material, as determined from metal-organic semiconductor contacts. These pinning levels can be obtained from simple density functional theory calculations. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4717985]