Quantum Interference in Molecular Conductance through Alternant and Non-Alternant Hydrocarbons

摘要

Exploring charge transport properties through single molecules is an active theoretical and experimental area not only in molecular electronics but also in molecular sensing. One of the most striking quantum effects in molecular conductance is destructive quantum interference (QI), where conductivity is significantly suppressed. Recently, growing attention has been devoted to QI because it has the potential to open doors to many new applications, such as thermoelectric devices, molecular switches, and spin filters. Predicting QI in both alternant and non-alternant hydrocarbons is a goal of theoretical work in molecular electronics.