Atomic Origin for Hydrogenation Promoted Bulk Oxygen Vacancies Removal in Vanadium Dioxide

被引:10
作者
Li, Bowen [1 ]
Hu, Min [2 ]
Ren, Hui [1 ]
Hu, Changlong [1 ]
Li, Liang [1 ]
Zhang, Guozhen [2 ]
Jiang, Jun [2 ]
Zou, Chongwen [1 ]
机构
[1] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China
[2] Univ Sci & Technol China, CAS Ctr Excellence Nanosci, Collaborat Innovat Ctr Chem Energy Mat, Hefei Natl Lab Phys Sci Microscale,Sch Chem & Mat, Hefei 230026, Anhui, Peoples R China
基金
中国国家自然科学基金; 中国博士后科学基金;
关键词
D O I
10.1021/acs.jpclett.0c02773
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Oxygen vacancies (V-O), a common type of point defect in metal oxides materials, play important roles in the physical and chemical properties. To obtain stoichiometric oxide crystal, the pre-existing V-O is always removed via careful post-annealing treatment at high temperature in an air or oxygen atmosphere. However, the annealing conditions are difficult to control, and the removal of V-O in the bulk phase is restrained because of the high energy barrier of V-O migration. Here, we selected VO2 crystal film as the model system and developed an alternative annealing treatment aided by controllable hydrogen doping, which can realize effective removal of V-O defects in the VO2-delta crystal at a lower temperature. This finding is attributed to the hydrogenation accelerated oxygen vacancies recovery in the VO2-delta crystal. Theoretical calculations revealed that the H-doping-induced electrons are prone to accumulate around the oxygen defects in the VO2-delta film, which facilitates the diffusion of V-o and thus makes it easier to be removed. The methodology is expected to be applied to other metal oxides for oxygen-related point defects control.
引用
收藏
页码:10045 / 10051
页数:7
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