Analysis of the microscopic mechanism of the stacking stability of h-BN on a metal substrate under external force | |
Yuan Niu; Wenhao He; Zhibin Lu | |
刊名 | Surfaces and Interfaces |
2023-05-12 | |
期号 | 39页码:102947 |
关键词 | Phase transition h-BN/Cu h-BN/Ni Adsorption method |
英文摘要 | Nanoelectromechanical systems (NEMS) based on layered materials often rely on mechanical deformation, which involves relative sliding between layers. And the charge distribution between layers is essential for understanding its mechanical and electromechanical behavior. As a typical layered material, h-BN has a small energy difference between different stacks, so it is prone to phase transition under external force. That is, relative sliding between layers. Therefore, analyzing the effect of external forces on the electronic structure of h-BN is crucial for understanding the mechanical deformation of layered materials. In this work, Cu and Ni are used as substrate materials. On the one hand, the inffuence of different substrates on the electronic structure and stacking stability of h-BN is studied. On the other hand, the microscopic mechanism of the phase of h-BN on the Cu substrate is analyzed and discussed. Through analysis, the stacking stability of h-BN on a metal substrate depends on the hybrid strength of the metal 3d and h-BN p orbitals. That is the adsorption. In addition, the phase transition of hBN on the Cu substrate is mainly attributed to the difference in the change rate of the total charge density of the h-BN/Cu interface between the two stacks with the external force. However, neither biaxial tensile nor biaxial compressive strain will cause h-BN to undergo transformation on the Ni substrate. |
内容类型 | 期刊论文 |
源URL | [http://ir.licp.cn/handle/362003/30636] |
专题 | 兰州化学物理研究所_固体润滑国家重点实验室 |
通讯作者 | Wenhao He; Zhibin Lu |
作者单位 | 1.Scientiffc Data Center, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences 2.Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 3.State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences |
推荐引用方式 GB/T 7714 | Yuan Niu,Wenhao He,Zhibin Lu. Analysis of the microscopic mechanism of the stacking stability of h-BN on a metal substrate under external force[J]. Surfaces and Interfaces,2023(39):102947. |
APA | Yuan Niu,Wenhao He,&Zhibin Lu.(2023).Analysis of the microscopic mechanism of the stacking stability of h-BN on a metal substrate under external force.Surfaces and Interfaces(39),102947. |
MLA | Yuan Niu,et al."Analysis of the microscopic mechanism of the stacking stability of h-BN on a metal substrate under external force".Surfaces and Interfaces .39(2023):102947. |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论