A promising way to open an energy gap in bilayer graphene.
A promising way to open an energy gap in bilayer graphene.
复制标题
DOI：
10.1039/c5nr04554a
复制
发表时间：
2015-10
期刊：
影响因子：
6.7
通讯作者：
Jialei Hao;Chengxi Huang;Haiping Wu;Yuhao Qiu;Qian Gao;Zhenpeng Hu;E. Kan;Lixin Zhang
中科院分区：
文献类型：
--
作者：
Jialei Hao;Chengxi Huang;Haiping Wu;Yuhao Qiu;Qian Gao;Zhenpeng Hu;E. Kan;Lixin Zhang
由于单层和双层石墨烯在实际应用中的巨大潜力，其能隙问题一直是人们研究的热点。在此，基于第一性原理计算，我们报告了一种很有前途的方法来打开一个大的带隙的双层石墨烯（BLG）通过将其夹在两个基板之间，虽然这通常是不期望发生由于弱层间相互作用占主导地位的货车德瓦尔斯力。以表面功能化的硼氮化物为衬底，我们预测从第一性原理计算，BLG可以有从0.35 eV到0.55 eV的能隙，这取决于衬底和堆叠顺序。与其他方法相比，BLG的带隙控制，在我们的研究中，BLG的结构完整性得到了很好的保留，预测的能隙是适合于电子器件。由于该方法易于实验实现，我们的研究结果有望加速石墨烯在半导体器件中的应用，促进石墨烯技术的发展。
There has been huge research interest in the energy gap problem of monolayer and bilayer graphene due to their great potential in practical applications. Herein, based on first-principles calculations, we report a promising way to open a large band gap in bilayer graphene (BLG) by sandwiching it between two substrates, although this is not usually expected to occur due to the weak interlayer interactions dominated by van der Waals forces. Taking surface-functionalized boron-nitrides as substrates, we predict from first-principles calculations that BLG can have energy gaps ranging from 0.35 eV to 0.55 eV, depending on the substrates and stacking order. Compared to other methods of band-gap manipulation in BLG, the structural integrity of BLG is well-preserved in our study, and the predicted energy gap is suitable for electric devices. Since the proposed method is easily realized in experiments, our results will hopefully accelerate the application of graphene in semiconductor devices and promote the development of graphene technology.