Tunable Thermoelectric Performance in Porous Armchair Graphene Nanoribbons as a Function of Strain, Pore Morphology and Temperature

In this paper, the thermoelectric performance of porous armchair graphene nanoribbons under tensile and compressive strain is investigated as a function of pore morphology and temperature. For all the porous structures irrespective of their pore size, the performance improves at a compressive strain of 10%, while for tensile nature, the minimum cut-off strain required for improved thermoelectric figure of merit (ZT) shows an inverse relation with the pore size. In addition, optimal pore shape geometry can yield better performance, even at lower values of strain. Further analysis reveals that tensile strain is not able to improve the performance at low and intermediate temperatures of around 300 K, whereas tensile/compressive strain is effective in enhancing the performance of porous armchair graphene nanoribbons at higher temperatures. Furthermore, the structures are found to be more sensitive to compressive strain than the tensile one since the effect of compressive strain is found to improve ZT more significantly. Our analysis based on Non-Equilibrium Green’s function calculations suggests a possible route for tailoring the functionality of nanomaterials so as to achieve great potentials for thermoelectric applications at various temperatures.