Isceri Stefania, Dragoni Daniele, Campi Davide, Cecchi Stefano, Bernasconi Marco
Department of Physics, Politecnico di Milano, Piazza L. da Vinci 32, 20133, Milano, Italy.
Paul-Drude-Institut für Festkörperelektronik, Leibniz-Institut im Forschungsverbund Berlin e. V., Hausvogteiplatz 5-7, 10117, Berlin, Germany.
Phys Chem Chem Phys. 2022 Aug 10;24(31):18608-18614. doi: 10.1039/d2cp01759h.
The 2D form of tellurium, named tellurene, is one of the latest discoveries in the family of 2D mono-elemental materials. In a trilayer configuration, free-standing tellurene was predicted theoretically to acquire two crystallographic forms, the and phases, corresponding to either a 1T-MoS-like geometry or a trilayer slab exposing the Te(101̄0) surface of bulk Te with helical chains lying in-plane and further reconstructed due to the formation of interchain bonds. Either one or the other of the two phases was observed experimentally to prevail depending on the substrate they were grown onto. In the perspective to integrate tellurene on silicon, we here report an study of the adsorption of tellurene on the Si(111)-30° surface passivated by antinomy. According to the literature, this substrate is chosen for the growth of several tellurides by molecular beam epitaxy. The calculations reveal that on this substrate the adsorption energy mostly compensates the energy difference between the and phases in the free-standing configuration which suggests that the prevalence of one phase over the other might in this case strongly depend on the kinetics effects and deposition conditions.
碲的二维形式，即碲烯，是二维单元素材料家族中的最新发现之一。在三层结构中，理论预测独立的碲烯会获得两种晶体形式，即β相和γ相，分别对应于类似于1T-MoS₂的几何结构，或者是暴露体相碲的Te(101̄0)表面的三层平板，其中螺旋链位于平面内，并且由于链间键的形成而进一步重构。实验观察到，取决于生长的衬底，两种相中的一种或另一种占主导地位。为了将碲烯集成到硅上，我们在此报告了一项关于碲烯在被锑钝化的Si(111)-30°表面上吸附的研究。根据文献，该衬底被选用于通过分子束外延生长几种碲化物。计算结果表明，在该衬底上，吸附能大多补偿了独立构型中β相和γ相之间的能量差，这表明在这种情况下，一种相相对于另一种相的优势可能强烈取决于动力学效应和沉积条件。
