The Study of Bending Property of Monolayer MoS2 in Non-collinear Electrode Using First Principle Theory
The Study of Bending Property of Monolayer MoS2 in Non-collinear Electrode Using First Principle Theory
复制标题
利用第一性原理理论研究单层MoS2非共线电极的弯曲性能
DOI：
10.1039/d0cp02714f
复制
发表时间：
2020
影响因子：
3.3
通讯作者：
Lin Xinnan
中科院分区：
文献类型：
--
作者：
Wu Gengshu;Lou Haijun;Liu Kai;Lin Xinnan
在这项工作中，我们报告了理论上的最大弯曲角的二硫化钼器件使用创造性的非共线电极方法的基础上的第一性原理理论。结果表明，与P型电极沿扶手椅方向排列相比，1T相电极沿锯齿方向排列的器件具有更好的导电性能。在平衡态和非平衡态下，当两电极间夹角小于45°时，由于两电极间的连续共振响应和能带结构的微小变形，电导下降小于15%。这项工作提供了指导和物理机制，实现灵活的二硫化钼晶体管，是可靠的，在亚纳米弯曲半径。
In this work, we report the theoretical maximum bending angle of MoS2 devices using the creative non-collinear electrodes method based on the first principles theory. The results show that the device with 1T-phase MoS2 electrodes sandwiching N-type MoS2 in a zigzag direction has a better conducting behavior as compared with P-type in an armchair direction. The conductance decreases less than 15% when the angle between the two electrodes is less than 45° in both the equilibrium state and non-equilibrium state because of the continuous resonant response between the two electrodes and the little deformed band structure. This work provides guidance and a physical mechanism for achieving flexible MoS2 transistors that are reliable at a sub-nm bending radius.