论文标题
热五烯基硅硅具有高室温的优点
Thermoelectric Penta-Silicene with a High Room-Temperature Figure of Merit
论文作者
论文摘要
硅是纳米技术中元素周期表中最常用的化学元素之一。自2015年以来，已经很容易获得二维（2D）硅（一种石墨烯的硅类似物），以制造现场效应的晶体管。最近，随着硅家族的新成员，Penta-Silicene的新成员，Penta-Silicene及其纳米吡啶的实验在Ag（110）表面（110）表面（110）具有Exotic电子特性。但是，到目前为止，还没有研究过五硅硅烯的热电性能，这会阻碍其从废热和固态peltier冷却器中发电的潜在应用。基于Boltzmann的运输理论和从头算计算，我们发现五硅烯在可及孔和电子浓度下分别显示出了3.4和3.0的优点ZT的显着室温图。我们将这种高ZT归因于上布丁型电子带结构和超低晶格导热率。该发现为五角大楼纳米结构的运输特性提供了新的见解，并突出了热电材料在室温下的潜在应用。
Silicon is one of the most frequently used chemical elements of the periodic table in nanotechnology. Two-dimensional (2D) silicene, a silicon analog of graphene, has been readily obtained to make field-effect transistors since 2015. Recently, as new members of the silicene family, penta-silicene and its nanoribbon have been experimentally grown on Ag(110) surface with exotic electronic properties. However, the thermoelectric performance of penta-silicene has not been so far studied that would hinder its potential applications of electric generation from waste heat and solid-state Peltier coolers. Based on the Boltzmann transport theory and ab initio calculations, we find that penta-silicene shows a remarkable room temperature figure of merit ZT of 3.4 and 3.0 at the reachable hole and electron concentrations, respectively. We attribute this high ZT to the superior pudding-mold electronic band structure and ultralow lattice thermal conductivity. The discovery provides new insight into the transport property of pentagonal nanostructures and highlights the potential applications of thermoelectric materials at room temperature.
