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由单层过渡金属硫族化合物构成的二维平面异质结在低功耗、高性能和柔性电子器件方面具有重要应用潜力，其界面局域原子结构和缺陷决定电、磁、光、催化和拓扑量子性质，但迄今为止尚缺乏界面原子结构的精确表征。本研究利用球差校正电镜及分区探头成像数据，通过自行编写积分相位差分衬度（Integrated Differential Phase Contrast, iDPC）算法程序，对WS2-MoSe2单层异质结界面进行了原子结构表征，同时成像了W、Se、Mo、S四种原子序数差异较大的原子，确定了异质结界面上的原子位置，发现了几种常见的界面原子构型。本研究结果为单层过渡金属硫族化合物平面异质结研究提供了精确表征方法，对单原子水平界面构效关系研究具有重要意义。
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关键词:
- 积分差分相位衬度成像 /
- 二维材料 /
- 异质结 /
- 界面原子结构
Two-dimensional planar heterojunctions composed of single-layer transition metal dichalcogenides have great potential for the fabrication of low-power, high-performance, and flexible optoelectronic devices. The localized atomic structure and crystal defects at interface govern the electronic, magnetic, optical, catalytic, and topological quantum properties. However, precise characterization of interface atomic structure is still a challenge, so far. To determine the accurate atomic position, a spherical aberration-corrected electron microscope with segmented detector is employed, and the calculation by Integrated Differential Phase Contrast (iDPC) imaging algorithm has been performed. By using iDPC method, we have carried out characterization for the atomic structure of WS2-MoSe2 monolayer heterojunction interface, while imaging the W, Se, Mo, and S atoms simultaneously. Statistics show that the distribution of angle between the lattices on both sides of the WS2-MoSe2 planar heterojunction is around 29° and 35°. Additionally, we found that the lattice near the boundary experiences strains of approximately 4‰ and 2% in the two lattice vector directions, with significant distortion occurring only at the interface. In this work, several typical atomic configurations, including merge type, quadrilateral type, and pentagonal type, are found. The interface atomic configurations could help to release stress at the lateral interface. This study provides a useful method for the accurate structural characterization for planar heterojunctions of monolayer transition metal dichalcogenide. It is of great significance for an in-depth investigation of structure-property relationships at single-atom resolution in various interface structures.-
Keywords:
- iDPC /
- 2D Material /
- Heterojunction /
- Interface atomic structure
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