电子束辐照诱导V2O5结构演变的各向异性研究

电子束辐照诱导V₂O₅结构演变的各向异性研究

赵  振^1#，管晓溪^1#，赵培丽¹，黄瑞龙¹，何泊桦¹，贾双凤¹，郑  赫^1*，王建波^{1, 2*}

（1. 武汉大学物理科学与技术学院，电子显微镜中心，人工微结构教育部重点实验室和高等研究院，湖北 武汉 430072；2. 武汉大学科研公共服务条件平台，湖北 武汉 430072）

摘　要　　钒氧化物是过渡金属氧化物的重要成员，其相变行为及路径对此类功能材料的开发和调控至关重要。本文利用原位透射电子显微技术，研究了电子束辐照诱导下层状V₂O₅结构相变的各向异性行为。实验发现沿[010]方向的电子束辐照诱导的相变路径（V₂O_5→V₃O_7→VO₂(A)→VO）与沿[001]方向辐照引起的相变路径（V₂O_5→V₆O_13→VO）不同，说明各向异性的晶体结构对相变过程的影响。此外，利用密度泛函理论计算澄清了新相V₃O₇的形成机理，进一步发现V₃O₇具有较低的K⁺迁移势垒和优异的导电性能，是潜在的钾离子电池正极材料。本文揭示了电子束辐照诱导下V₂O₅相变的各向异性行为，为理解钒氧化物在实际工作环境中结构与价态演变机理提供借鉴。

关键词　　五氧化二钒；电子束辐照；各向异性；密度泛函理论；透射电子显微镜

中图分类号: TB383; TG146.2; O657; O484; TN16　　文献标识码: A Doi:10.3969/j.issn.1000-6281.2025.05.001

Anisotropic structural evolution of V₂O₅ induced by electron beam irradiation

ZHAO Zhen^1#，GUAN Xiaoxi^1#，ZHAO Peili¹，HUANG Ruilong¹，HE Bohua¹，JIA Shuangfeng1，ZHENG He^1*，WANG Jianbo^1，2*

（1. School of Physics and Technology, Center for Electron Microscopy, MOE Key Laboratory of Artificial Micro- and Nano-structures, and Institute for Advanced Studies, Wuhan University, Wuhan Hubei 430072;2. Core Facility of Wuhan University, Wuhan Hubei 430072, China）

Abstract　　As a prominent member of transition metal oxides, vanadium oxides exhibit distinct phase transition behaviors and pathways that are pivotal for the development and regulation of functional materials. In this study, in-situ transmission electron microscopy (TEM) was employed to investigate the anisotropic phase transition behavior of layered V2O5 under electron beam irradiation. The results demonstrated that the phase transition pathway along the [010] zone axis (V2O5 → V3O7 → VO2(A) → VO) differed completely from that along the [001] zone axis (V2O5 → V6O13 → VO), highlighting the significant influence of structural anisotropy on phase transition dynamics. Furthermore, density functional theory (DFT) calculations confirmed the formation of a novel V3O7 phase and provided insight into its fundamental properties. The V3O7 phase exhibited a low migration energy barrier for K+ ions and enhanced electrical conductivity, indicating its potential as a cathode material for potassium-ion batteries. This work elucidates the anisotropic phase transition mechanisms of V2O5 under electron irradiation, offering a deeper understanding of the structural and valence state evolutions in vanadium oxides during practical applications.

Keywords　　vanadium pentoxide; electron beam irradiation; anisotropy; density functional theory; transmission electron microscopy

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