Darhi Zakariae, El Farh Larbi, Pandey Ravindra
Department of Physics, Mohamed 1st University, Oujda 60000, Morocco.
Department of Physics, Michigan Technological University, Houghton, MI 49931, USA.
Materials (Basel). 2025 Jan 10;18(2):294. doi: 10.3390/ma18020294.
ZnSb is widely recognized as a promising thermoelectric material in its bulk form, and a ZnSb bilayer was recently synthesized from the bulk. In this study, we designed a vertical van der Waals heterostructure consisting of a ZnSb bilayer and an h-BN monolayer to investigate its electronic, elastic, transport, and thermoelectric properties. Based on density functional theory, the results show that the formation of this heterostructure significantly enhances electron mobility and reduces the bandgap compared to the ZnSb bilayer, thereby increasing its power factor. These findings highlight the potential of the h-BN monolayer-supported ZnSb bilayer heterostructure in thermoelectric applications, where maximizing energy conversion efficiency is essential.
ZnSb作为一种块状形式的有前景的热电材料已被广泛认可，并且最近从块状材料合成了ZnSb双层。在本研究中，我们设计了一种由ZnSb双层和h-BN单层组成的垂直范德华异质结构，以研究其电子、弹性、输运和热电性质。基于密度泛函理论，结果表明，与ZnSb双层相比，这种异质结构的形成显著提高了电子迁移率并减小了带隙，从而提高了其功率因数。这些发现突出了h-BN单层支撑的ZnSb双层异质结构在热电应用中的潜力，在热电应用中最大化能量转换效率至关重要。
