Graphene-like Boron-Carbon-Nitrogen Monolayers

ACS Nano. 2017 Mar 28;11(3):2486-2493. doi: 10.1021/acsnano.6b08136. Epub 2017 Feb 13.

Abstract

A strategy to synthesize a 2D graphenic but ternary monolayer containing atoms of carbon, nitrogen, and boron, h-BCN, is presented. The synthesis utilizes bis-BN cyclohexane, B2N2C2H12, as a precursor molecule and relies on thermally induced dehydrogenation of the precursor molecules and the formation of an epitaxial monolayer on Ir(111) through covalent bond formation. The lattice mismatch between the film and substrate causes a strain-driven periodic buckling of the film. The structure of the film and its corrugated morphology is discussed based on comprehensive data from molecular-resolved scanning tunneling microscopy imaging, X-ray photoelectron spectroscopy, low-energy electron diffraction, and density functional theory. First-principles calculations further predict a direct electronic band gap that is intermediate between gapless graphene and insulating h-BN.

Keywords: 2D; 2D material; BCN; STM; bis-BN cyclohexane; boron nitride; graphene.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.