With the advantages of eco-friendliness, low cost, and low density, Mg₂(Si,Sn) solid solutions are promising candidates for thermoelectric applications. In this work, Sb-doped Mg₂Si_0.4Sn_0.6 bulks were prepared with a combined method of solid-state reaction and high pressure synthesis, followed by spark plasma sintering. Our investigations show that Sb doping optimizes the carrier concentration, while Si/Sn alloying effectively suppresses the lattice thermal conductivity and induces a convergence of the two lowest-lying conduction bands. Additionally, numerous coherent Sn-rich nanoprecipitates are formed within micron-sized grains. All these factors contribute synergistically to improving the thermoelectric properties of Mg₂Si_0.4Sn_0.6. The optimal Mg₂(Si_0.4Sn_0.6)_0.985Sb_0.015 exhibits a power factor higher than 4 000 μW·m⁻¹·K⁻² and a lattice thermal conductivity less than 0.8 W·m⁻¹·K⁻¹ at temperatures higher than 600 K, leading to the highest ZT of 1.61 at 823 K. Current work demonstrates an effective approach to enhancing the thermoelectric performance of n-type Mg₂X solid solutions through doping, alloying, and microstructure modification.

The outstanding thermoelectric material, SnSe, is also known for its inferior mechanical properties, which bring great inconvenience for its application in thermoelectric devices. In this work, SnSe bulks were prepared via a sequential procedure of high-pressure synthesis (HPS), ball milling, and spark plasma sintering (SPS). The produced polycrystalline samples with a unique microstructure of tightly-bound quasi-equiaxed grains exhibited excellent mechanical properties. The Vickers hardness (HV), compressive strength (σ_c), and bending strength (σ_b) reached 1.1 GPa, 300 MPa, and 90 MPa, respectively, all of which are far superior to those of ordinary polycrystalline SnSe. Furthermore, the microstructures did not deteriorate thermoelectric performance. This work demonstrated an effective procedure to prepare polycrystalline microstructure-engineered SnSe materials, which not only show advantages in device applications but also shed light on property enhancement for other layer-structured thermoelectric materials.

To validate the crystal structure and elucidate the formation mechanism of the unexpected surface copper boride, a systematic scanning tunneling microscope, X-ray photoelectron spectroscopy, angle-resolved photoemission spectroscopy, and aberration-corrected scanning transmission electron microscopy investigations were conducted to confirm the structure of copper-rich boride Cu₈B₁₄ after depositing boron on single-crystal Cu(111) surface under ultrahigh vacuum. First-principles calculations with defective surface models further indicate that boron atoms tend to react with Cu atoms near terrace edges or defects, which in turn shapes the intermediate structures of copper boride and leads to the formation of stable Cu-B monolayer via large-scale surface reconstruction eventually.