Yang Jie, Quhe Ruge, Feng Shenyan, Zhang Qiaoxuan, Lei Ming, Lu Jing
State Key Laboratory of Information Photonics and Optical Communications and School of Science, Beijing University of Posts and Telecommunications, Beijing 100876, P. R. China.
Phys Chem Chem Phys. 2017 Sep 13;19(35):23982-23989. doi: 10.1039/c7cp04570k.
The interfacial properties of β phase borophene contacts with other common two-dimensional materials (transition-metal dichalcogenides, group IV-enes and group V-enes) have been systematically studied using a density functional theory (DFT) method. The zero tunneling barrier is found for all of the investigated β phase borophene contacts except for the case of β borophene/graphene. The chemically reactive properties and high work function (4.9 eV) of the stable β borophene lead to the formation of Ohmic contacts with silicene, germanene, stanene, black phosphorene, arsenene and antimonene. The advantage of the zero tunnel barrier remains when changing the borophene from the β phase to the Δ phase. Therefore, a high carrier injection rate is expected in these borophene contacts. Our study provides guidance on borophene for future two dimensional materials based device designs.
利用密度泛函理论（DFT）方法，系统研究了β相硼烯与其他常见二维材料（过渡金属二卤化物、IV族烯和V族烯）的界面性质。除了β硼烯/石墨烯的情况外，在所有研究的β相硼烯接触中都发现了零隧穿势垒。稳定的β硼烯的化学反应活性和高功函数（4.9 eV）导致其与硅烯、锗烯、锡烯、黑磷烯、砷烯和锑烯形成欧姆接触。当硼烯从β相变为Δ相时，零隧穿势垒的优势依然存在。因此，预计在这些硼烯接触中具有较高的载流子注入率。我们的研究为基于硼烯的未来二维材料器件设计提供了指导。
