Thermoelectric power factor of tetrathiotetraceneiodide organic crystals in the 3D model

Abstract

Nanostructured organic crystals of TTT2I3 are very prospect materials for thermoelectric applications. The crystals are needle-shaped and consist of segregate stacks of TTT molecules and iodine ions. Due to the pronounced quasi-one-dimensionality and to the property that allows the formation of non-stoichiometric compounds, the thermoelectric figure of merit of these crystals, ZT, may be increased by optimizing the concentration of conducting holes, as it was predicted theoretically.