Tuning d-orbitals to control spin-orbit coupling in terminated MXenes.

Theory and experiment have revealed that spin-orbit coupling (SOC) strongly depends on the relativistic effect in topological insulators (TIs), while the influence of orbitals is always ignored. Herein, we provide a direct way of controlling effective SOC with the help of orbital effects, reducing the dependence on elements. Taking 5d W2CO2 and 4d Mo2CO2 MXenes as a specific example, we predict that by decreasing the hybridization strength of W atoms with C or O atoms in 2D W2CO2, the nontrivial bandgaps at the Γ-point are directly enhanced. The weak hybridization of W atoms with ligand elements enhances the electron localization of degenerate d-orbitals of three groups under the triangular prism crystal field, inducing stronger on-site Coulomb repulsion that enhances orbital polarization as well as boosts the SOC effect. Meanwhile, similar results have also been observed in 4d Mo2CO2. This implies that the orbital effects are an efficient and straightforward way to control the nontrivial bandgap in 2D MXene TIs. Our work not only provides an alternative perspective on designing large nontrivial bandgaps but also brings a possibility to control the SOC effect for TI devices.

Effect of Nano Ni Particles on the Microstructure and Thermophysical Properties of Sn-Bi-Zn Heat Transfer and Heat Storage Alloys.

The specific heat capacity plays a crucial role in influencing the heat transfer efficiency of materials. Considering the relatively low specific heat capacity of metals, this study focuses on investigating the impact of second-phase nano Ni particles on the microstructure and thermophysical properties of the alloy matrix. The alloys' phase compositions and microstructures were examined using X-ray diffraction phase analysis (XRD), electron probe micromorphology analysis (EPMA), and X-ray fluorescence spectroscopy (XRF). Furthermore, the thermophysical properties of the alloys were comprehensively analyzed through the employment of a differential scanning calorimeter (DSC) and the laser flash method (LFA). The addition of second-phase nanoparticles significantly increased the specific heat capacity of the alloy in the liquid state; however, the phenomenon of nanoparticle agglomeration diminishes this improvement. The analysis of the specific heat enhancement mechanism indicates that ordered states are formed between the second-phase solid nanoparticles and the melted metal in the liquid state. With the increase in temperature, the destruction of these ordered states requires additional heat, resulting in the increase of specific heat capacity.

Effect of Ga on the Oxide Film Structure and Oxidation Resistance of Sn-Bi-Zn Alloys as Heat Transfer Fluids.

The effect of gallium on the oxide film structure and overall oxidation resistance of low melting point Sn-Bi-Zn alloys was investigated under air atmosphere using thermogravimetric analyses. The liquid alloys studied had a Ga content of 1-7 wt.%. The results showed that the growth rates of the surface scale formed on the Sn-Bi-Zn-Ga alloys conformed to the parabolic law. The oxidation resistance of Sn-Bi-Zn alloys was improved by Ga addition and the activation energies increased from 12.05 kJ∙mol-1 to 22.20 kJ∙mol-1. The structure and elemental distribution of the oxide film surface and cross-section were found to become more complicated and denser with Ga addition. Further, the results of X-ray photoelectron spectroscopy and X-ray diffraction show that Ga elements accumulate on the surface of the liquid metal to form oxides, which significantly slowed the oxidation of the surface of the liquid alloy.