The thermal properties and thermoelectric performance of γ-graphyne nanoribbons

The thermal properties and thermoelectric performance of one-dimensional armchair and zigzag γ-graphyne nanoribbons (γ-GYNRs) are theoretically investigated in the present study. We found that the pristine γ-GYNRs hold lower phononic thermal conductance and better figure of merit (ZT) than graphene nanorribons. The maximal ZT values for the armchair and zigzag γ-GYNRs are 0.93 and 0.61, respectively. By introducing 14C atoms, the thermoelectric conversion efficiencies of γ-GYNRs are greatly enhanced, thus the isotope effect can significantly improve the thermoelectric properties of the systems. More importantly, under a relatively low temperature, the maximal ZT of a defective zigzag γ-GYNR is as high as 2.12, indicating that γ-GYNRs are promising materials for constructing excellent thermoelectric nanodevices.