Exploring planar and nonplanar siligraphene: a first-principles study.

ABSTRACT: Siligraphenes (g-SiC _n and g-Si _n C) are a novel family of two dimensional materials derived from the hybrid of graphene and silicene, which are expected to have excellent properties and versatile applications. It is generally assumed that g-SiC _n is planar whereas g-Si _n C is nonplanar. Based on first-principles calculations, we have explored the planarity and nonplanarity for g-SiC _n and g-Si _n C (n = 3, 5, and 7). It is found that the silicene-like g-Si₅C and g-Si₇C, though buckled, are actually energetically quite close to their planar counterpart. We found a new high buckled g-Si₇C, which is much more stable and looks disordered. g-SiC

SUBMITTER: Tang X 

PROVIDER: S-EPMC9063529 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature