Photocatalytic Properties of Graphdiyne and Graphene Modified TiO 2 : From Theory to Experiment
2013; American Chemical Society; Volume: 7; Issue: 2 Linguagem: Inglês
10.1021/nn305288z
ISSN1936-086X
AutoresNailiang Yang, Yuanyuan Liu, Hao Wen, Zhiyong Tang, Huijun Zhao, Yuliang Li, Dan Wang,
Tópico(s)Catalytic Processes in Materials Science
ResumoThe 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.
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