Robust charge spatial separation and linearly tunable band gap of low-energy tube-edge phosphorene nanoribbon.

ABSTRACT: Versatile applications have been proposed for phosphorene nanoribbons (PNRs), whose properties depend strongly on the edge structures. Recently, a unique tube-reconstruction at the zigzag edge (ZZ[Tube]) of PNRs was discovered to be the lowest configuration. Therefore, studies on PNRs should be reconsidered. In this paper, we systemically explore the width and strain effects on zigzag PNRs with different edge structures, including ZZ[Tube], ZZ and ZZ[ad] edges. ZZ PNRs always have small band gaps which are nearly independent of both width and strain. A remarkable band gap exists in ZZ[ad] PNRs which increases with a decrease in the ribbon width but is not sensitive to strain. In contrast, the band gaps of ZZ[Tube] PNRs change from 1.08 to 0.70 eV as the width increases from 12 to 65 Å. In

SUBMITTER: Xia M 

PROVIDER: S-EPMC9417856 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature