Effect of doping of N and B atoms on thermoelectric properties of C60 molecule

[摘要] In this work, the doping effect on the thermoelectric properties of the C60 molecule (fullerene) was studied by considering inelastic electron–phonon interactions. It is seen that the maximum value of thermal conductance (𝑘max) with respect to the molecules are 𝑘max(C59N) < 𝑘max(C60) < 𝑘max(C59B). Also, the oscillatory behaviour of thermal conductance is dramatically dependent on the type of molecules. The values of figure of merit (ZT) against energy and with respect to the type of molecules are between 0.25 × 10−5 and 0.194 × 10−3 and effect of the type of molecules is small on the minimum value of ZT.

[学科分类] 物理（综合）

[关键词] Thermoelectric effect;polaronic transport;electron–phonon interaction;fullerene junction.