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From Hefei University of Technology was informed that the university's researchers successfully built a new type of sharp titanium titanium white powder surface model, can achieve a significant increase in the visible light absorption and catalytic activity of titanium dioxide, in the photo-catalytic decomposition of water hydrogen, can provide a new path for clean energy development. The results have been published in the internationally renowned journal Advanced Functional Materials., titanium dioxide has excellent photo catalytic properties and has a wide range of applications in the fields of photolytic hydrodesic hydrogen, carbon dioxide reduction preparation fuel and photolysis of organic pollutants. The research shows that the above catalytic reactions all occur on the surface of titanium dioxide, because the chemical activity of the main surface of common titanium dioxide is low and the absorption efficiency of visible light is not high, so how to improve the surface activity of titanium dioxide and the efficiency of visible light absorption has become a hot research topic in the field of photo catalysis of titanium dioxide.Associate Professor Zhou Rulong of hefei University of Technology's School of Materials Science and Engineering, in collaboration with Professor Zeng Xiaocheng of the University of Nebraska-Lincoln, used the first principle of computational theory to construct a new type of titanium dioxide surface of sharp titanium ore. The simulation results show that the surface has a suitable band width, which can greatly improve the absorption efficiency of visible light, and the chemical reaction activity is very high. At the same time, the reconstructed surface is more stable in the energy of titanium-rich environment, and can be successfully prepared under low oxygen pressure and higher temperature conditions.molecular dynamics simulation shows that the surface model can decompose the water molecules adsorbed to the surface at room temperature, indicating that the surface has good photo catalytic capacity and can be used to photo-catalytic hydrogen for clean energy.
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