A novel 2D material with intrinsically low thermal conductivity of Ga2O3(100): first-principles investigations.

The discovery of new semiconducting materials with low thermal conductivity is of vital importance in promoting thermal energy conversion and management. Herein, lattice dynamical and thermal transport mechanism of new energetically stable 2D Ga2O3(100) is presented using density functional theory. The results show that 2D Ga2O3(100) possesses an extremely low lattice thermal conductivity of ∼0.71 W mK-1 at 300 K. We find that 2D Ga2O3(100) possesses two intrinsic features that decrease the lattice thermal conductivity: (1) the existence of interspersed distorted tetrahedral and pentahedral coordination geometries, which improves the phonon anharmonicity of the system; (2) compared to bulk ß-Ga2O3, the reduced dimensionality suppresses heat transfer by introducing interfacial scattering in 2D Ga2O3(100). Additionally, the strong Ga-O covalent bond results in a low speed of sound, high phonon-phonon scattering rates, and thus low lattice thermal conductivity. Our finding is remarkable because ultralow thermal conductivity can be realized in a simple 2D oxide, which provides replaceable materials for further applications in the field of thermal management.

Enhanced thermoelectric performance of In-doped and AgCuTe-alloyed SnTe through band engineering and endotaxial nanostructures.

Endotaxial nanostructures can reduce lattice thermal conductivity through enhancing phonon scattering without affecting electrical transport, leading to a high thermoelectric performance. On the other hand, band engineering can enhance electrical transport by improving the Seebeck coefficient through valence band convergence and the resonance level. In this paper, the synergistic effect of band engineering and endotaxial nanostructures was implemented in SnTe thermoelectric materials by alloying with AgCuTe and doping with Indium. The positron annihilation lifetime spectra show that the vacancy concentration in SnTe was reduced after alloying with AgCuTe, which led to a decreasing hole concentration and improved carrier mobility. Additionally, the diffusion of Ag in the matrix during the preparation can facilitate valence band convergence. Therefore, the power factor of SnTe is greatly increased to 18 µW cm-1 K-2 at 800 K, which can be further increased to 21.4 µW cm-1 K-2 at 800 K after In doping due to resonance level formation. Meanwhile, Cu2Te endotaxial nanostructures also can be observed in the TEM image after SnTe alloying with AgCuTe. So, the lattice thermal conductivity significantly reduced to 0.93 W m-1 K -1 in In-doped and AgCuTe-alloyed SnTe. Finally, we obtain an enhanced ZT value of 1.14 in Sn1.02In0.01Te-1%AgCuTe at 800 K.

Improvement of Mechanical and Thermoelectric Properties of AgCuTe by Pinning Effect and Enhanced Liquid-Like Behavior via SiC Alloying.

With the development and application of thermoelectric (TE) devices, it requires not only high-performance of TE materials but also high mechanical properties. Here, we report a medium-temperature liquid material, AgCuTe, with high mechanical properties. The results demonstrate that AgCuTe possesses a multiphase structure characterized by abundant grain boundaries, resulting in reduced lattice thermal conductivity and inherently high mechanical strength. Furthermore, nano-SiC was alloyed into the AgCuTe material to further improve its mechanical and TE properties. Nano-SiC exhibited a button-like distribution within the grain boundaries, introducing a pinning effect that significantly elevated the Vickers hardness of the samples. Additionally, nano-SiC induced strong lattice distortion energy in the vicinity, which promotes Ag/Cu ions to escape from the lattice and enhances the liquid-like behavior of Ag/Cu ions. Finally, these enhancements led to a 21% improvement in the mechanical properties and a 40% improvement in the TE properties for AgCuTe. Notably, AgCuTe achieved its peak TE performance, with a latest peak ZT value of 1.32 at 723 K. This research expands the potential applications of AgCuTe.

Self-poled piezoelectric polymer composites via melt-state energy implantation.

Lightweight flexible piezoelectric polymers are demanded for various applications. However, the low instinctively piezoelectric coefficient (i.e. d33) and complex poling process greatly resist their applications. Herein, we show that introducing dynamic pressure during fabrication is capable for poling polyvinylidene difluoride/barium titanate (PVDF/BTO) composites with d33 of ~51.20 pC/N at low density of ~0.64 g/cm3. The melt-state dynamic pressure driven energy implantation induces structure evolutions of both PVDF and BTO are demonstrated as reasons for self-poling. Then, the porous material is employed as pressure sensor with a high output of ~20.0 V and sensitivity of ~132.87 mV/kPa. Besides, the energy harvesting experiment suggests power density of ~58.7 mW/m2 can be achieved for 10 N pressure with a long-term durability. In summary, we not only provide a high performance lightweight, flexible piezoelectric polymer composite towards sustainable self-powered sensing and energy harvesting, but also pave an avenue for electrical-free fabrication of piezoelectric polymers.