First-principles investigation of the significant anisotropy and ultrahigh thermoelectric efficiency of a novel two-dimensional Ga_(2)I_(2)S_(2) at room temperature

Two-dimensional(2D)thermoelectric(TE)materials have been widely developed;however,some 2D materials exhibit isotropic phonon,electron transport properties,and poor TE performance,which limit their application scope.Thus,exploring excellent anisotropic and ultrahigh-performance TE materials are very warranted.Herein,we first investigate the phonon thermal and TE properties of a novel 2D-connectivity ternary compound named Ga2I2S2.This paper comprehensively studies the phonon dispersion,phonon anharmonicity,lattice thermal conductivity,electronic structure,carrier mobility,Seebeck coefficient,electrical conductivity,and the dimensionless figure of merit(ZT)versus carrier concentration for 2D Ga_(2)I_(2)S_(2).We conclude that the in-plane lattice thermal conductivities of Ga_(2)I_(2)S_(2) at room temperature(300 K)are found to be 1.55 W mK^(−1) in the X-axis direction(xx-direction)and 3.82 W mK^(−1)in the Y-axis direction(yy-direction),which means its anisotropy ratio reaches 1.46.Simultaneously,the TE performance of p-type and n-type doping 2D Ga2I2S2 also shows significant anisotropy,giving rise to the ZT peak values of p-type doping in xx-and yy-directions being 0.81 and 1.99,respectively,and those of n-type doping reach ultrahigh values of 7.12 and 2.89 at 300 K,which are obviously higher than the reported values for p-type and n-type doping ternary compound Sn2BiX(ZT∼1.70 and∼2.45 at 300 K)(2020 Nano Energy 67104283).This work demonstrates that 2D Ga_(2)I_(2)S_(2) has high anisotropic TE conversion efficiency and can also be used as a new potential room-temperature TE material.

Enhanced mechanical property and tunable dielectric property of SiC_(f)/SiC-SiBCN composites by CVI combined with PIP

The SiBCN matrix via chemical vapor infiltration(CVI)or/and polymer infiltration pyrolysis(PIP)technologies was orderly introduced to SiC_(f)/SiC composites to optimize the mechanical property and electromagnetic(EM)shielding effectiveness simultaneously.The BN interface with the thickness of 350 nm was designed to obtain a little stronger interface bonding.The flexural strength of SiC_(f)/SiC-SiBCN composites reached 545.45±29.59 MPa thanks to the crack deflection between the CVI SiC and CVI SiBCN,as well as CVI SiBCN and PIP SiBCN matrix because of the modulus difference between them.The fracture toughness(KiC)with the value of 16.02±0.94 MPa·m^(1/2) was obtained owing to the extension of crack propagation path.The adverse effect of stronger interface bonding was eliminated by the design of matrix microstructure for SiC_(f)/SiC-SiBCN composites.The thermal conductivity in the thickness direction was 7.64 W·(m·K)^(-1) at 1200℃and the electric resistivity decreased to 1.53×10^(3) Ω·m.The tunable dielectric property was obtained with the coordination of wave-absorption CVI SiBCN matrix and impedance matching PIP SiBCN matrix,and the total shielding effectiveness(SE_(T))attained 30.01 dB.It indicates that the SiC_(f)/SiC-SiBCN composites have great potential to be applied as structural and functional materials.

Single-source-precursor synthesis of porous W-containing SiC-based nanocomposites as hydrogen evolution reaction electrocatalysts

In this paper,W-containing SiC-based ceramic nanocomposites were successfully prepared by a polymer-derived ceramic approach using allylhydridopolycarbosilane(AHPCS)as a SiC source,WC16 as a tungsten source,polystyrene(PS)as a pore forming agent as well as divinyl benzene(DVB)as a carbon rich source.High-temperature phase behavior of the W-containing SiC-based ceramics after heat treatment was studied,showing that excessive DVB content in the feed will inhibit the crystallinity of W-containing nanoparticles in the final ceramic nanocomposites.The high specific surface area(SSA)of 169.4-276.9 m^(2)/g can be maintained even at high temperature in the range of 1400-1500℃,due to the carbothermal reaction which usually occurs between 1300 and 1400℃.All prepared W-containing SiC-based nanocomposites reveal electrocatalytic activity for the hydrogen evolution reaction(HER).In detail,compared with reversible hydrogen electrode(RHE),the ceramic sample PWA-2-1300 after heat treatment at 1300℃ has the smallest overpotential of 286 mV when the current density is 10 mA·cm^(-2) in acid medium,indicating the promising perspective in the water splitting field.