Metal-free Ternary BCN Nanosheets with Synergetic Effect of Band Gap Engineering and Magnetic Properties

Abstract

Abstract Introducing the synergy effect of magnetic properties and band gap engineering is highly desired for two-dimensional (2D) nanosheets. Here, we prepare metal-free ternary 2D carbon (C) doped boron nitride (BN) nanosheets (BCN) with band gap engineering and magnetic properties by a synergetic way. The substitutional occupation of C atoms, as revealed by X-ray absorption spectrum, in BCN nanosheets induces tunable band gap reduction (5.5 eV to 2.6 eV) and intensive intrinsic ferromagnetism at room temperature. First-principle calculations also reveal that substituted C atoms in BCN nanosheets can broaden the light adsorption region and reduce the optical band gap, and ferromagnetic ordering is energetically more favorable than antiferromagnetic. This design opens up new possibility for synergetic manipulation of exchange interactions and band gap engineering in 2D nanostructures.