Utilizing a two-dimensional material in an electronic device as channel layer inevitably involves the formation of contacts with metallic electrodes. As these contacts can dramatically affect the behavior of the device, we study the electronic properties of monolayer Janus MoSSe in contact with different metallic electrodes by first-principles calculations, focusing on the differences in the characteristics of contacts with the two sides of MoSSe. In particular, we demonstrate that the Fermi level pinning is different for the two sides of MoSSe, with the magnitude resembling that of MoS₂ or MoSe₂, while both sides can form Ohmic contacts with common electrode materials without any further adaptation, which is an outstanding advantage over MoS₂ and MoSe₂.

在电子器件中使用二维材料作为通道层不可避免地涉及与金属电极的接触的形成。由于这些接触会显着影响器件的行为，我们通过第一性原理计算研究了单层 Janus MoSSe 与不同金属电极接触的电子特性，重点是与 MoSSe 两侧接触的特性差异。特别是，我们证明了 MoSSe 两侧的费米能级钉扎是不同的，其幅度类似于 MoS ₂或 MoSe ₂，而两侧可以与普通电极材料形成欧姆接触而无需任何进一步的适应，这是优于 MoS ₂和 MoSe₂ .