Thermoelectric figure of merit of a hybrid material

The thermoelectric figure of merit ZT of a hybrid material made of n-doped PbTe nanocrystals bridged by trans-polyacetylene molecules is investigated theoretically using the non-equilibrium Greenpsilas function approach. Shifting narrow molecular resonances above the conduction band edge of the nanocrystals by using polar surface molecules, results in a ZT value of about 10. It is shown that the value of ZT is mainly determined by the thermoelectric properties of single bridging molecules sandwiched between the nanocrystals.