插层(化学)
上部结构
钒
材料科学
化学物理
相变
相(物质)
原子单位
结晶学
机制(生物学)
化学
凝聚态物理
无机化学
热力学
物理
冶金
有机化学
量子力学
作者
Daliang He,Bo Wang,Cao Wang,Yongjun Jiang,Sheng Dai,Wei Zhao,Xiaodong Cui,Chuanhong Jin
出处
期刊:2D materials
[IOP Publishing]
日期:2024-01-23
卷期号:11 (2): 025014-025014
被引量:3
标识
DOI:10.1088/2053-1583/ad2193
摘要
Abstract Self-intercalation is an efficient strategy for tailoring the property of layer structured materials like transition metal dichalcogenides (TMDCs), while the associated kinetics and mechanism remain scarcely explored. In this study, we investigate the atomic-scale dynamics and mechanism of vanadium (V) self-intercalation in multi-layer 1T-VSe 2 using in situ high resolution scanning transmission electron microscopy. The results reveal that the self-intercalation of V induces structural transformation of pristine VSe 2 into three V-enrich intercalated compounds, i.e. V 5 Se 8 , V 3 Se 4 and VSe. The self-intercalated V follows an ordered arrangement of 2 × 2 , 2 × 1 , and 1 × 1 within the interlayer octahedral sites, corresponding to an intercalation concentration of 25%, 50% and 100% in V 5 Se 8 , V 3 Se 4 and VSe, respectively. The V intercalants induced lattice distortions to the host 1T-VSe 2 such as the dimerization of neighboring lattice V is observed experimentally, which are further supported by density functional theory (DFT) calculations. Finally, a superstructure model generalizing the possible structures of self-intercalated compounds in layered TMDCs is proposed and then validated by the DFT determined formation energy landscape. This study provides comprehensive insights on the kinetics and mechanism of the self-intercalation in layered TMDC materials, contributing to the precise control for the structure and stoichiometry of self-intercalated TMDC compounds.
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