Self-Termination of Borophene Edges.

ABSTRACT: Due to boron's unique bonding nature, planar boron materials, including borophenes, boron nanoclusters, and nanoribbons, show very puzzling features, especially the superior stability of the free-standing planar boron edges. Here, we present a systematic investigation of the bonding configurations of various edges of borophene. Because of the flexibility of forming either three-center two-electron (3c-2e) or two-center two-electron bonds (2c-2e), an edge of borophene tends to be self-terminated by adopting a different bonding configuration at the edge from that in bulk. Among various borophene edge types, the double-chain-terminated flat edge is found to be significantly stable. As a consequence, we found that the double- and triple-chain borophene nanoribbons with a triangular lattice and

SUBMITTER: Qiu L 

PROVIDER: S-EPMC10806783 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature