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Photocatalytic properties of graphdiyne and graphene modified TiO₂: from theory to experiment
Nailiang Yang1, Yuanyuan Liu, Hao Wen
1State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.
Abstract:
The chemical structure and electronic properties of two-dimensional (2D) carbon-supported TiO₂, TiO₂-graphdiyne, and TiO₂-graphene composites have been studied by first-principles density functional theory. Calculation results show that TiO₂(001)-graphdiyne composites possess superior charge separation and oxidation properties, having the longest lifetimes of photoexcited carriers among all of the 2D composites containing TiO₂ of different facets. Our experimental results further proved that TiO₂(001)-graphdiyne composites could be a promising photocatalyst. For photocatalytic degradation of methylene blue, the rate constant of the TiO₂(001)-graphdiyne composite is 1.63 ± 0.15 times that of the pure TiO₂(001) and 1.27 ± 0.12 times that of the TiO₂(001)-graphene composite.
