DESIGNING AIR AND WATER STABLE N-DOPABLE MODEL COMPOUNDS AND POLYMERS: CALCULATION OF RELATIVE OXIDATIVE STABILITY

摘要

Conducting and semi-conducting organic compounds and polymers with high carrier mobility are essential to fully realize flexible solar cells, flexible light emitting displays and related microelectronic devices. In addition to the currently commercially available p-type polymers, air and water stable n-type polymers and compounds are desired. While significant progress has been made in improving environmental stability of n-dopable organic compounds and polymers, additional molecular engineering is needed. Here we utilize semi-empirical quantum chemical methods to calculate the relative redox stability of several derivatized heterocyclic compounds, some of which have been synthesized and subsequently characterized for environmental stability, d.c. conductivity, and redox behavior.