Fermi level engineering in organic semiconductors for controlled manufacturing of charge and spin transfer materials

Abstract

The rational design of materials for organic electronics and spintronics has been a long-standing challenge. Here, we show by theoretical means how to achieve Fermi level engineering in an organic semiconductor like for instance a metal phthalocyanine. It turns out that substitution of the peripheral hydrogen atoms by either fluorine atoms or methoxy groups allows to tune the Fermi level by about 1.5 eV. Finally, we show how such tuning could be exploited to achieve a systematic way to manufacture charge and spin transfer materials by studying the system (MeO)${}_{8}$CoPc/F${}_{16}$CoPc.