Thermoelectric figure of merit in Ga-doped [0001] ZnO nanowires

By using first-principles electronic structure calculation and Boltzmann transport equation, we investigate the impact of gallium (Ga) doping on the thermoelectric property of [0001] zinc oxide nanowires (Zn1 − xGaxO NWs). Our results show that the thermoelectric performance of the Zn1 − xGaxO NWs is strongly dependent on the Ga contents. The maximum achievable room temperature thermoelectric figure of merit in Zn1 − xGaxO NW can be increased by a factor of 2.5 at Ga content of 0.04, compared with the ZT of pure ZnO NWs. This may open up ZnO NW arrays applications in possible thermoelectric energy generator and cooler.

► We calculate the thermoelectric ZT of ZnO NWs. ► We study impacts of Ga doping on ZT. ► ZT in Ga doped ZnO NW can be increased by a factor of 2.5 compared with pure ZnO NW.