Fullerene-porphyrin supramolecular nanocables

Abstract

Novel fullerene-porphyrin supramolecular nanocables were designed and their electronic properties were studied using computational modeling and first-principles density functional theory. It is demonstrated that two well-defined fullerene-porphyrin nanocables have clear channels for charge transport by electrons and holes. These two interesting nanocables have zigzag or helical chains of C(60) molecules around a π-stacked porphyrin core. They also have frontier electronic states which are spatially extended along the axes of the nanocables. Ballistic electronic transport is possible for ultrafast transfer of electrons along C(60) chains. We believe these supramolecular nanocables can play important roles in molecular electronics, optoelectronics and photovoltaics.