State Key Lab of Crystal Materials, Shandong University, 250100, Jinan, Shandong, P.R. China.
National Synchrotron Radiation Laboratory, University of Science and Technology of China, 230029, Hefei, Anhui, P.R. China.
Sci Rep. 2017 Jul 26;7(1):6617. doi: 10.1038/s41598-017-07143-6.
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.
引入磁性和带隙工程的协同效应对于二维（2D）纳米片是非常需要的。在这里，我们通过协同的方式制备了具有带隙工程和磁性的金属自由三元 2D 碳（C）掺杂氮化硼（BN）纳米片（BCN）。X 射线吸收光谱揭示了 BCN 纳米片中 C 原子的取代占据，导致可调谐的带隙减小（5.5 eV 至 2.6 eV）和室温下强烈的本征铁磁性。第一性原理计算还表明，BCN 纳米片中取代的 C 原子可以拓宽光吸收区域并减小光学带隙，并且铁磁有序在能量上比反铁磁更有利。这种设计为在 2D 纳米结构中协同操纵交换相互作用和带隙工程开辟了新的可能性。
