论文标题
高效率热电设备的横向过渡金属二甲藻元化杂基结构
Lateral transition metal dichalcogenide heterostructures for high efficiency thermoelectric devices
论文作者
论文摘要
对可再生能源的需求不断提高，这是开发有效热电材料的主要驱动力。二维（2D）过渡金属二盐元素（TMDC）由于其较大的有效质量和较低的导热率而成为热电应用的有希望的候选者。在本文中，我们研究了多尺度量子传输框架内侧TMDC异质结构的热电性能。对于半导体TMDCS的所有可能组合，都考虑了$ n $ -type和$ p $ type横向异质结构：MOS $ _2 $，MOSE $ _2 $，WS $ _2 $和WSE $ _2 $。发现这些材料之间的频带对准对于增强热电图（$ ZT $）和功率因数远远超出了原始TMDC的功率因数至关重要。特别是，我们表明$ n $ type ws $ _2 $带有WSE $ _2 $ _2 $三角形夹杂物的室温$ zt $值是原始WS $ _2 $单层的五倍。 $ p $ -type mose $ _2 $带有WSE $ _2 $夹杂物的包含$ _2 $，也证明具有室温$ zt $值，其价值是原始摩西$ _2 $单层的两倍。此处计算的峰功率因数值是在室温下间隙2D单层中报告的最高的。因此，2D侧向TMDC异质结构开辟了新的途径，以开发超有效的平面热电设备。
Increasing demands for renewable sources of energy has been a major driving force for developing efficient thermoelectric materials. Two-dimensional (2D) transition-metal dichalcogenides (TMDC) have emerged as promising candidates for thermoelectric applications due to their large effective mass and low thermal conductivity. In this article, we study the thermoelectric performance of lateral TMDC heterostructures within a multiscale quantum transport framework. Both $n$-type and $p$-type lateral heterostructures are considered for all possible combinations of semiconducting TMDCs: MoS$_2$, MoSe$_2$, WS$_2$, and WSe$_2$. The band alignment between these materials is found to play a crucial in enhancing the thermoelectric figure-of-merit ($ZT$) and power factor far beyond those of pristine TMDCs. In particular, we show that the room-temperature $ZT$ value of $n$-type WS$_2$ with WSe$_2$ triangular inclusions, is five times larger than the pristine WS$_2$ monolayer. $p$-type MoSe$_2$ with WSe$_2$ inclusions is also shown to have a room-temperature $ZT$ value about two times larger than the pristine MoSe$_2$ monolayer. The peak power factor values calculated here, are the highest reported amongst gapped 2D monolayers at room temperature. Hence, 2D lateral TMDC heterostructures open new avenues to develop ultra-efficient, planar thermoelectric devices.
