Improving the thermoelectric properties of septuple atomic-layer SnBi2Se4 by regulating the carrier concentration through Nb doping

Layered semiconductor materials have garnered significant attention in the thermoelectric field due to their excellent electrical property and intrinsically low lattice thermal conductivity. The septuple atomic-layered ternary compound SnBi2Se4 is reported as a promising thermoelectric material in both bulk and single-layer structures based on theoretical calculations, though experimental investigation remains unexplored. In this work, the melting and hot-press sintering methods were adopted to synthesize the septuple atomic-layered SnBi2Se4. Its unique layered crystal structure contributed to significant anisotropic transport properties and reduced thermal conductivity. However, its thermoelectric performance is constrained by a low carrier concentration that limits electrical conductivity. To solve this issue, the high-valent transition metal Nb was doped at Bi site to provide additional electrons. This doping resulted in a noticeable improvement in the performance of septuple atomic-layered SnBi2Se4 due to increased electrical conductivity and decreased thermal conductivity. Finally, a peak ZT ∼ 0.17 was obtained for SnBi1.97Nb0.03Se4 at 723 K, suggesting the effectiveness of Nb doping in enhancing the performance. These results indicate that septuple atomic-layered SnBi2Se4 is a highly promising thermoelectric material, though further performance improvements are needed.