Microscopic Mechanism of Photocatalytic Reaction on Titanium Dioxide Surface Revealed by China Science University

On July 31st, the China University of Science and Technology announced groundbreaking findings from a single-molecule study. Researchers from the Hefei National Laboratory for Physical Sciences at the Microscale Laboratory, Professor Wang Bing and Zhao Biao, have successfully uncovered the microscopic mechanism behind photocatalytic reactions on titanium dioxide surfaces. Their experimental results offer critical insights that could significantly enhance the catalytic performance of titanium dioxide. The study was published on July 30th in *Nature Communications*, one of the most respected scientific journals globally. Titanium dioxide, commonly known as TiOâ‚‚, is recognized as the whitest material in the world. It plays a crucial role in solar energy conversion, with promising applications in water photodecomposition for hydrogen production and artificial photosynthesis. As a result, research into this material has become a major focus in the field of new energy materials. Scientists worldwide are actively exploring new catalysts and more efficient energy conversion mechanisms, making TiOâ‚‚ a key player in sustainable technology development. Traditionally, titanium dioxide exists in two main forms: anatase and rutile. While rutile is structurally stable and has fewer defects, it exhibits lower photocatalytic activity, which has been the focus of previous studies. However, Professor Wang Bing and his team used pulsed laser deposition to create high-quality anatase single-crystal thin films. By employing scanning tunneling microscopy and atomic manipulation techniques, they were able to clearly visualize the surface structure and active sites. Combined with theoretical calculations led by Professor Chao Zhao, they proposed a new surface model that resolves long-standing debates about the defect structure and chemical reactivity of TiOâ‚‚ surfaces. Their research revealed that the anatase surface is fully oxidized, correcting earlier assumptions that the surface was partially oxidized. Moreover, due to oxygen vacancies on the surface, exposed titanium atoms show higher reactivity, which explains the enhanced photocatalytic performance. These findings mark a significant step forward in understanding and optimizing titanium dioxide for future clean energy technologies. (Gui Yunan)

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