论文标题
基于硼氮化硼的超薄UV-C光发射二极管的第一原理计算
First-principles computation of boron-nitride-based ultrathin UV-C light emitting diodes
论文作者
论文摘要
短波长紫外线（UV-C）的光可将任何细菌的DNA停用，包括多种细菌和诸如covid-19的病毒。二维（2D）基于材料的UV-C发光二极管可能会集成到任意表面中，以允许无阴影的表面消毒。在这项工作中，我们执行一系列第一原理计算，以识别基于六角形硝化硼（HBN）的超薄LED的核心成分。通过将HBN层与不同的堆叠顺序相结合，预测电子和孔将局限于多个量子井（MQW）。评估了HBN的各种P和N掺杂候选物，并确定了具有低肖特基屏障高度的相对P和N型金属接触。这些发现总结在混凝土UV-C LED结构建议中。
Short wavelength ultraviolet (UV-C) light deactivates DNA of any germs, including multiresistive bacteria and viruses like COVID-19. Two-dimensional (2D) material-based UV-C light emitting diodes can potentially be integrated into arbitrary surfaces to allow for shadow-free surface disinfection. In this work, we perform a series of first-principles calculations to identify the core components of ultrathin LEDs based on hexagonal boron nitride (hBN). The electrons and holes are predicted to be confined in multiple quantum wells (MQWs) by combining hBN layers with different stacking orders. Various p- and n-doping candidates for hBN are assessed, and the relative p- and n-type metal contacts with low Schottky barrier heights are identified. The findings are summarized in a concrete UV-C LED structure proposal.
