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Strain-induced electronic, stability and enhancement of thermoelectric performance of 2D Si2C3 monolayer: An emerging material for renewable energy
Physica E: Low-dimensional Systems and Nanostructures ( IF 3.3 ) Pub Date : 2021-04-03 , DOI: 10.1016/j.physe.2021.114769
Vipin Kumar , Debesh R. Roy

Strain engineering is a highly efficient technique to improve the electronic, mechanical, and thermoelectric characteristics of two-dimensional materials. Inspired by a recent study on the most stable structures of the silicon-carbon monolayer [Li. P. et al., Nanoscale, 2014, 11685], we have carried out systematic investigations for 2D Si2C3 monolayer (ML) on electronic, dynamical, mechanical, thermal stability and thermoelectric properties by applying the biaxial tensile strain using density functional theory combined with semi-classical Boltzmann transport theory. The calculated results demonstrate that biaxial tensile strain can change the position of the conduction band minimum (CBM) or valence band maximum (VBM), which produce significant effects in the thermometric parameters. The enhanced power factor strongly suggests that biaxial tensile strain is a compelling way to improve the thermoelectric (TE) performance of 2D Si2C3 ML, making it an ideal candidate for thermoelectric applications. Such strain sensitive thermoelectric response in 2D Si2C3 ML couldopen pathways for a wide range of applications in the emerging renewable energy such as thermoelectric power generation and waste thermal energy harvesting.



中文翻译:

应变感应电子,2D Si 2 C 3单层的稳定性和热电性能的增强:可再生能源的新兴材料

应变工程是一种高效的技术,可以改善二维材料的电子,机械和热电特性。受到最近对碳硅单层最稳定结构的研究的启发[Li。P. et al。,Nanoscale,2014,11685],我们通过使用以下方法施加双轴拉伸应变,对电子,动力学,机械,热稳定性和热电性质的2D Si 2 C 3单层(ML)进行了系统研究。密度泛函理论与半经典玻尔兹曼输运理论相结合。计算结果表明,双轴拉伸应变可以改变导带最小值(CBM)或价带最大值(VBM)的位置,这会对测温参数产生重大影响。增强的功率因数强烈表明,双轴拉伸应变是改善2D Si 2 C 3 ML的热电(TE)性能的一种令人信服的方法,使其成为热电应用的理想选择。这种在2D Si 2 C 3 ML中对应变敏感的热电响应可以为新兴的可再生能源(例如热电发电和废热能收集)中的广泛应用打开途径。

更新日期:2021-04-19
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