López-Galán, O.A.; Nogan, J.; Ramírez, A.; Félix, R.; Soto, F.S.; Trimmer-Duarte, J.L.; Rubio-Dalli, L.C.; García, J.M.; Lazaro, R.C.A.; Heilmaier, M.; Terrones, M.; Hurtado-Macías, A.; Talamantes-Soto, R.P.; Ramos, M.: Thermoelectric effect in MoS2/MoSe2 heterostructures: Experimental evidence and theoretical aspects. MRS Energy & Sustainability 13 (2026), p. 62-74
10.1557/s43581-026-00154-9
Open Accesn Version
Abstract:
Efficient energy harvesting for applications such as radioisotope thermoelectric generators and heat-recovery systems require novel thermoelectric materials with exceptional performance. This work demonstrates thermoelectric capabilities of n-type MoS2/MoSe2 heterojunctions fabricated by scalable radiofrequency sputtering. These heterostructures demonstrated an outstanding experimental Seebeck coefficient of ~ − 1.1 mV K−1 (ΔT = 40 K), arising from thermally activated carriers with a low activation energy of 32 meV, and estimated thermoelectric figure-of-merit (ZT) values of ~ 1.0. Furthermore, computational calculations within framework of Density Functional Theory corroborate experimental findings allowing to elucidate a crucial role of atomic-scale in determining anisotropic thermoelectric properties. Lastly, our data indicate MoS2/MoSe2 heterojunctions are a promising material for low-cost and efficient thermoelectric for microelectronic devices.