Figure 1. Electron differential density map at the interface of the composite: (a) GD-TiO2(001), (b) GR-TiO2(001); (c) Mulliken charge on the surface of GD and GR in the composite The use of semiconductor photocatalytic oxidation to treat various contaminants is an effective method of environmental management. TiO2 is considered to be the most promising semiconductor photocatalyst; however, its light absorption is limited to the ultraviolet region, and the electrons and holes generated after light irradiation tend to recombine and lose their activity. In order to suppress recombination, in addition to the traditional doping and co-adsorption, carbon material has attracted attention as a good acceptor of electrons, and graphene (GR) has been shown to effectively inhibit recombination. Recently, the carbon family has added a new member, Graphyne (GD), which is a carbene ring conjugated by a 1,3-diyne linkage to form a planar network of all-carbon molecules with a large conjugation system and a broad surface. spacing. Under the support of the National Natural Science Foundation of China and the National Key Laboratory, the research team of the researcher Wang Dan of the Institute of Process Engineering of the Chinese Academy of Sciences used the hydrothermal method to make TiO2 and GD form a composite material through Ti-OC, showing a higher ratio of pure TiO2 and TiO2-. The superior photocatalytic properties of carbon nanotubes and TiO2-GR composites. At the same time, due to the introduction of C impurity levels, the bandgap width of TiO2 is reduced, so that it exhibits excellent visible light catalytic activity. The results were published in the international journal Small (Small, 2012, 8, 265-271). Based on past achievements, the team calculated the chemical and electronic properties of the TiO2 and two-dimensional carbon composites using the first-principles method based on the density functional theory. The results show that the TiO2(001)-GD complex is superior to pure TiO2(001) and TiO2(001)-GR composites in electronic structure, charge separation and oxidation ability, and is a promising photocatalyst. The experimental results further verify the theoretical calculation results. In the experiment of photocatalytic degradation of methylene blue, the degradation rate constant of TiO2(001)-GD is 1.63 times that of pure TiO2(001) and 1.27 times that of TiO2(001)-GR. It is of great significance to the design and development of high-efficiency photocatalysts. The results were published in the international journal ACS Nano (ACS Nano, 2013, 7, 1504-1512).
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Figure 2. Photocatalytic degradation of methylene blue
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