Wen‐Li Chang

Accelerated first-principles evaluation of thermoelectric performance in monolayer SnSi2N4 using machine learning potentials

Tao Wang, Wen‐Li Chang, Qing-Chao Liu, Long-Fei Cui et autres

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The effects of doping on the thermoelectric properties of two-dimensional Nowotny-Juza materials NaBeP and NaBeAs

Wen‐Li Chang, Xin‐Huan He, Ji-Long Zhang, Xiao-Ping Wei et autres

Two-dimensional Nowotny-Juza compounds have great potential for thermoelectric applications due to their excellent mobility and good transport properties. In this study, the effects of Cu, Al-doped NaBeP and Li, P-doped NaBeAs on the stability and electronic properties of the materials are mainly …

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First-principles study of the thermoelectric properties of the two-dimensional halide GeIBr

Ji-Long Zhang, Wen‐Li Chang, Xin‐Huan He, Qingchao Liu et autres

Abstract The utilisation of thermoelectric materials facilitates a direct conversion between heat and electricity, rendering them a highly sought-after resource in the realm of green and novel energy sources in the contemporary era. In order to realise their full potential, it is …

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A theoretical study of the thermoelectric properties of two-dimensional surface-functionalized MXene materials ScYCTT′ (T = OH, H; T′ = H, F)

Longfei Cui, Wen‐Li Chang, Qingchao Liu, Tao Wang et autres

peaks of 0.97, 1.11, and 0.59, respectively, better than those of the p-type. Therefore, ScYCTT' exhibits promising thermoelectric performance across the 300-900 K temperature interval.

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The thermoelectric properties of the two-dimensional Nowotny-Juza material NaBeX (X = P, As, and Sb)

Xin‐Huan He, Wen‐Li Chang, Ji-Long Zhang, Longfei Cui et autres

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Effect of biaxial tensile strain on the thermoelectric properties of monolayer ZrTiCO2

Zi‐Qi Sun, Wen‐Li Chang, Zi‐Meng Zhang, Xin‐Huan He et autres

Abstract Using ab-initio calculation principle calculations, we investigate the effect of biaxial tensile strain on the stability and electronic properties of the two-dimensional double transition metal MXenes ZrTiCO2. The monolayer ZrTiCO2 has stability and semiconducting properties under different strain conditions. The results …

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Thermoelectric properties of two‐dimensional ternary transition metal nitrides HfNF

Zi‐Meng Zhang, Wen‐Li Chang, Zi‐Qi Sun, Xin‐Huan He et autres

Abstract The exceptional electron transfer properties and low thermal conductivity of two‐dimensional layered materials render them a promising choice for thermoelectric applications. In this study, we explore the stability, electronic properties, and thermoelectric characteristics of materials composed of two‐dimensionally layered transition metal …

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Effect of uniaxial compressive strain on the thermoelectric properties of two-dimensional HfNF

Wen‐Li Chang, Zi‐Meng Zhang, Xin‐Huan He, Jilong Zhang et autres

Abstract Two-dimensional transition metal nitride halides have shown promise in thermoelectric applications due to their low dimensionality, excellent electron transfer properties, and quantum confinement of carriers. This study focuses on investigating the impact of uniaxial compressive strain on the stability, electronic and …

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Electronic, magnetic and transport properties of anti-ferromagnetic semiconductor BaGd2X4(X S, Se)

Xiao-Ping Wei, Lan-Lan Du, Jing Shen, Zi‐Qi Sun et autres

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Thermoelectric properties of two-dimensional double transition metal MXenes: ScYC T2 ( T= F, OH)

Wen‐Li Chang, Zi‐Qi Sun, Zi‐Meng Zhang, Xiao‐Ping Wei et autres

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Defect effect on the stability, electronic and magnetic properties equal-atomic CrLaCoAl alloy by the first-principles calculations

Xiao‐Ping Wei, Jun-Rui Liu, Xin Zhang, Wen‐Li Chang et autres

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Thermoelectric properties of 2D semiconducting Pt 2 CO 2

Xiao‐Ping Wei, Jing Shen, Lan-Lan Du, Wen‐Li Chang et autres

Abstract Quantum confinement effect in 2D materials leads to the reduction of the degree of freedom of space and the weakening of the correlation between the thermoelectric factors. Only by adjusting a certain physical quantity can optimized the thermoelectric performance. MXenes as …

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