Silicene, the silicon counterpart of graphene, has been successfully grown on metallic substrates such as Ag（111）, ZrB2（0001）, and Ir（111） surfaces. However, characterization of its electronic structure is hampe...Silicene, the silicon counterpart of graphene, has been successfully grown on metallic substrates such as Ag（111）, ZrB2（0001）, and Ir（111） surfaces. However, characterization of its electronic structure is hampered by the metallic substrate. In addition, potential applications of silicene in nanoelectronic devices will require its growth on or integration with semiconducting and insulating substrates. We herein present a review of recent theoretical works regarding the interaction of silicene with non-metallic templates, distinguishing between the weak van-der-Waals-like interactions of silicene with, for example, layered metal （di）chalcogenides, and the stronger covalent bonding between silicene and, for example, ZnS surfaces. We then present a methodology to effectively compare the stability of diverse silicene structures using thermodynamics and molecular dynamics density functional theory calculations. Recent experimental results on the growth of silicene on MoS2 are also reported and compared to the theoretical predictions.展开更多
文摘Silicene, the silicon counterpart of graphene, has been successfully grown on metallic substrates such as Ag（111）, ZrB2（0001）, and Ir（111） surfaces. However, characterization of its electronic structure is hampered by the metallic substrate. In addition, potential applications of silicene in nanoelectronic devices will require its growth on or integration with semiconducting and insulating substrates. We herein present a review of recent theoretical works regarding the interaction of silicene with non-metallic templates, distinguishing between the weak van-der-Waals-like interactions of silicene with, for example, layered metal （di）chalcogenides, and the stronger covalent bonding between silicene and, for example, ZnS surfaces. We then present a methodology to effectively compare the stability of diverse silicene structures using thermodynamics and molecular dynamics density functional theory calculations. Recent experimental results on the growth of silicene on MoS2 are also reported and compared to the theoretical predictions.
