Oxygen vacancy-intensified generation and transfer of photo-induced electron for efficient generation and orienting conversion of hydrogen

The dissociation of water molecules is of importance for clean energy industry as an efficient-limiting step in coal chemistry and renewable hydrogen energy conversion. As the key resource for hydrogen production through the electrochemical and photocatalytic water splitting processes, water molecules need to be used more efficiently. Up to date, the activation of water molecules is still a serious challenge because of the low energy of water molecules and the difficulty in breaking the O-H bond. In particular, the development of new active surfaces to regulate the interaction between the catalysts and water molecules toward water dissociation is important. Oxygen vacancy (V_O) can effectively change the charge distribution and electronic energy levels near the defects, drive the electron transfer between the carrier and the active metal, and achieve the regulation of the electronic properties of the catalytic active centre. However, limited by the low stability of oxide defects, V_O have a limited scope to modulate the energy of the catalytic active centre. The creation of high-energy electronic states in the active centre must rely on the input of extra-system energy such as light and electricity. Photo-induced electron generated by light-excited semiconductors can drive the catalytic active centre to a high energy state, activating inert molecules such as water. Therefore, constructing catalysts based on V_O and photo-induced electron to enhance the catalytic activity of the precious metal towards water and AB molecules is important.

A team of catalytic scientists led by Baojun Li from Zhengzhou University in Zhengzhou, China recently reported the work on how the coupled of oxygen vacancies with photo-inducted electrons enhances the catalytic activity for water dissociation. The team published their research work in Nano Research on January 28, 2026.

In this work, V_O broaden the range of light absorption by the catalyst, increasing the concentration and migration rate of photo-induced electrons. The active site with high energy created by V_O mediated photo-induced electron migration to Ru leads an electron-rich state of Ru. V_O enhances the hybridization degree between the Ru 4d orbitals and the antibond orbitals (O-H) of H₂O, thereby significantly reducing the activation barrier for water dissociation. The turnover frequency of Ru-TV_O reaches up to 1614 min⁻¹ in visible light excitation condition at 298 K, exceeding the highest activity in Ru-based catalysts. This work provides an effective strategy for water dissociation through V_O-intensified generation and transfer of photo-induced electron in the field of energy conversion.

Other contributors include Yanyan Liu from the College of Science at Henan Agricultural University in Zhengzhou; Shuling Liu, Huanhuan Zhang and Zhikun Peng from the College of Chemistry at Zhengzhou University in Zhengzhou; Ting-Hui Xiao and Erjun Liang from School of Physics at Zhengzhou University in Zhengzhou; Jianchun Jiang from Institute of Chemical Industry of Forest Products at Chinese Academy of Forestry in Nanjing; Yongfeng Wang from Department of Electronics at Peking University in Beijing.

This work was supported by the National Natural Science Foundation of China (No. 22309164, No. 22279118), the China Postdoctoral Science Foundation (No. 2023M733214), the National Science Fund for Distinguished Young of China (No. 22225202), and the Young Top Talent Program of Zhongyuan-Yingcai-Jihua (No. 30602674).

About Nano Research

Nano Research is a peer-reviewed, open access, international and interdisciplinary research journal, sponsored by Tsinghua University and the Chinese Chemical Society, published by Tsinghua University Press on the platform SciOpen. It publishes original high-quality research and significant review articles on all aspects of nanoscience and nanotechnology, ranging from basic aspects of the science of nanoscale materials to practical applications of such materials. After 18 years of development, it has become one of the most influential academic journals in the nano field. Nano Research has published more than 1,000 papers every year from 2022, with its cumulative count surpassing 7,000 articles. In 2024 InCites Journal Citation Reports, its 2024 IF is 9.0 (8.7, 5 years), and it continues to be the Q1 area among the four subject classifications. Nano Research Award, established by Nano Research together with TUP and Springer Nature in 2013, and Nano Research Young Innovators (NR45) Awards, established by Nano Research in 2018, have become international academic awards with global influence.