ABSTRACT

Since the discovery of graphene, a single-atom-thick honeycomb carbon structure, a great deal of effort has been both theoretically and experimentally dedicated to the search for similar two-dimensional (2D) materials comprising group-IV elements, especially silicon. If silicene is to be used under ambient conditions, 2D silicon nanosheets (SiNSs) with sp3 silicon bonds should be selected. CaSi2, one of the Zintl phases, is an intermetallic compound formed between a strongly electropositive metal and a somewhat less electropositive atom such as Si. CaSi2, considered a calcium-intercalated silicene, provides a good opportunity to investigate the intrinsic electronic structure of genuine silicene. Bilayer silicene generally exists as a multiphase compound in CaSi2Fx. The w-BLSi structure apparently resembles that of re-BLSi, although their atomic arrangements are clearly different. The chemical modification-exfoliation process provides a generic approach for preparing organo-chapped silicenes. In this method, layered polysilane (Si6H6) was used as a starting layered silicon compound with sp3 silicon bonding.