Impact of increasing the number of molecules in thermopower properties of C20 molecule

In this research, thermopower properties of C20 fullerene molecule and the effect of increasing the number of molecule is investigated using density functional theory and Green’s function formalism in linear response regime. We consider three different configuration: Au- C20 - Au, Au- (C20)2- Au and finally Au- (C20)3 – Au. The calculation show that increasing the number of C20 fullerene molecules in the device increases the molecular thermopower. In addition, the signs of the seebeck coefficient are length dependent and can be positive (p type) or negative (n type) for different number of C20 fullerene molecules. Thermopower, increases the figure of merit in the system and will lead to more efficient thermoelectric Device.