Abstract
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.
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