Photocatalytic Properties of Graphdiyne and Graphene Modified TiO2: From Theory to Experiment

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 separat...

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Bibliographic Details
Published in:	ACS nano Vol. 7; no. 2; pp. 1504 - 1512
Main Authors:	Yang, Nailiang, Liu, Yuanyuan, Wen, Hao, Tang, Zhiyong, Zhao, Huijun, Li, Yuliang, Wang, Dan
Format:	Journal Article
Language:	English
Published:	United States American Chemical Society 26-02-2013
Subjects:	graphdiyne DFT calculation crystal facet composite photocatalysis graphene TiO2
Online Access:	Get full text
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Summary:	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.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	1936-0851 1936-086X
DOI:	10.1021/nn305288z