International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba, 305-0044, Japan.
National University of Science and Technology MISIS, Leninskiy prospekt 4, 119049, Moscow, Russia.
Adv Mater. 2017 Jul;29(28). doi: 10.1002/adma.201700695. Epub 2017 May 19.
Engineering of the optical, electronic, and magnetic properties of hexagonal boron nitride (h-BN) nanomaterials via oxygen doping and functionalization has been envisaged in theory. However, it is still unclear as to what extent these properties can be altered using such methodology because of the lack of significant experimental progress and systematic theoretical investigations. Therefore, here, comprehensive theoretical predictions verified by solid experimental confirmations are provided, which unambiguously answer this long-standing question. Narrowing of the optical bandgap in h-BN nanosheets (from ≈5.5 eV down to 2.1 eV) and the appearance of paramagnetism and photoluminescence (of both Stokes and anti-Stokes types) in them after oxygen doping and functionalization are discussed. These results are highly valuable for further advances in semiconducting nanoscale electronics, optoelectronics, and spintronics.
通过氧掺杂和功能化来设计六方氮化硼（h-BN）纳米材料的光学、电子和磁学性质在理论上已经被设想出来。然而，由于缺乏显著的实验进展和系统的理论研究，到目前为止，还不清楚这种方法可以在多大程度上改变这些性质。因此，在这里，我们提供了全面的理论预测，并通过固体实验验证，明确地回答了这个长期存在的问题。讨论了 h-BN 纳米片中的光学带隙变窄（从约 5.5 eV 降至 2.1 eV）以及氧掺杂和功能化后出现的顺磁和光致发光（包括斯托克斯和反斯托克斯类型）。这些结果对于进一步推进半导体纳米尺度电子学、光电学和自旋电子学的发展具有重要价值。
