论文标题
Zrxy的Janus单层的出色热电性能和令人印象深刻的光电特性(X = O,S)(Y = S,SE)
Excellent thermoelectric performance and impressive optoelectronic properties of Janus monolayer of ZrXY(X=O, S) (Y=S, Se)
论文作者
论文摘要
较低的TMDC材料适用于其特定量子限制的热电应用,并且在状态密度(DOS)中截然不同。在这里,我们通过使用与Boltzmann Transfort Equation(BTE)的密度功能理论(DFT)结合了Zrxy((x = o,s,)(y = s,se))2D TMDC单层的热电参数((x = o,s,)(y = s,se))。
Lower-dimensional TMDC materials are suitable for thermoelectric applications for their specific quantum confinement and being distinct in the density of states (DOS). Here we investigated thermoelectric parameters of the 2D TMDC monolayer of ZrXY ((X=O, S,) (Y=S, Se)) by using Density Functional Theory (DFT) combined with Boltzmann Transport Equation (BTE)