Abstract

Thermoelectric properties of the Thiolated Arylethynylene with a 9,10-Dihydroanthracene core molecular system, which consists of a finite homogeneous chain of benzene rings connected to two semi-infinite contacts, are investigated. The study is based on the strong bonding approach to first neighbors, using semi-analytical methods of Green's function techniques within a real space renormalization group scheme. The thermoelectric quantities like electrical conductance, thermal conductance, Seebeck coefficient, and figure of merit are determined in terms of molecule-to-electrode coupling, voltage bias as well as temperature. The obtained results show that such a molecular system can be utilized as an efficient energy converter from heat energy to usable electric energy. Our analysis can be extended to other simple and more complex molecular systems possessing loop sub-structures for designing thermoelectric devices.