Here we have investigated the thermoelectric property of a two-dimensional pentagraphene sheet. Both the electronic and phononic contribution is considered to study the thermal transport property. Pentagraphene possesses higher Seebeck coefficient compared to conventional thermoelectric materials confirming its potentiality as a thermoelectric device. Moreover, the Seebeck coefficient decreases with the increase in temperature. Interestingly, electrical and thermal conductance increases with an increase in temperature, which leads to the significant thermoelectric performance of PG with an increase in temperature. Finally, having a moderate ZT of ∼0.14 at 700 K, confirms that pentagraphene might be helpful in designing thermoelectric materials.

在这里，我们研究了二维五石墨烯片的热电特性。考虑电子和声子的贡献来研究热传输特性。与传统热电材料相比，五石墨烯具有更高的塞贝克系数，这证实了其作为热电器件的潜力。此外，塞贝克系数随着温度的升高而降低。有趣的是，电导和热导随着温度的升高而增加，这导致 PG 的热电性能随着温度的升高而显着。最后，在 700 K 时具有 ∼0.14 的适中 ZT，证实五石墨烯可能有助于设计热电材料。