Homo-composition and hetero-structure nanocomposite Pnma Bi₂SeS₂ - Pnnm Bi₂SeS₂ with high thermoelectric performance

Nanocomposite engineering decouples the transport of phonons and electrons. This usually involves the in-situ formation or ex-situ addition of nanoparticles to a material matrix with hetero-composition and hetero-structure (heC-heS) interfaces or hetero-composition and homo-structure (heC-hoS) interfaces. Herein, a quasi homo-composition and hetero-structure (hoC-heS) nanocomposite consisting of Pnma Bi₂SeS₂ - Pnnm Bi₂SeS₂ is obtained through a Br dopant-induced phase transition, providing a coherent interface between the Pnma matrix and Pnnm second phase due to the slight structural difference between the two phases. This hoC-heS nanocomposite demonstrates a significant reduction in lattice thermal conductivity (~0.40 W m^-1 K^-1) and an enhanced power factor (7.39 μW cm^-1 K^-2). Consequently, a record high figure-of-merit ZT_max = 1.12 (at 773 K) and a high average figure-of-merit ZT_ave = 0.72 (in the range of 323-773 K) are achieved. This work provides a general strategy for synergistically tuning electrical and thermal transport properties by designing hoC-heS nanocomposites through a dopant-induced phase transition.