Enhanced thermoelectric performance of defected silicene nanoribbons

Based on non-equilibrium Green׳s function method, we investigate the thermoelectric performance for both zigzag (ZSiNRs) and armchair (ASiNRs) silicene nanoribbons with central or edge defects. For perfect silicene nanoribbons (SiNRs), it is shown that with its width increasing, the maximum of ZT values (ZTM) decreases monotonously while the phononic thermal conductance increases linearly. For various types of edges and defects, with increasing defect numbers in longitudinal direction, ZTM increases monotonously while the phononic thermal conductance decreases. Comparing with ZSiNRs, defected ASiNRs possess higher thermoelectric performance due to higher Seebeck coefficient and lower thermal conductance. In particular, about 2.5 times enhancement to ZT values is obtained in ASiNRs with edge defects. Our theoretical simulations indicate that by controlling the type and number of defects, ZT values of SiNRs could be enhanced greatly which suggests their very appealing thermoelectric applications.