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

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.

Hot‐Electron‐Mediated Photochemical Reactions: Principles, Recent Advances, and Challenges

“…[1][2][3][4][5][6][7] In particular, heterogeneous photocatalysis that couples light with chemical reactions is of paramount importance in chemistry and energy applications. [8][9][10][11][12][13][14][15][16] Plasmonic enhancement is currently a hot topic in catalysis-driven chemistry and photonic materials due to its important role as the main mediator bridging solar energy with other energy forms. For instance, the photocatalytic water splitting reaction used for biomimetic plant photosynthesis represents a promising solution to the growing demands for clean and sustainable energy.…”

Hydrothermal synthesis of N-doped TiO2 nanowires and N-doped graphene heterostructures with enhanced photocatalytic properties

“…On the other hand, the combination of TiO 2 with nanostructured carbons, including zero-, one-or two-dimensional materials, offers broad potential applications such as photocatalysis, solar cells, etc. [23,24] Especially, the 2D graphene derivatives have been utilized as an important component for various functional composites [25e28].…”

Photo‐reduction of CO2 Using a Rhenium Complex Covalently Supported on a Graphene/TiO2 Composite

“…The broad absorption at 500-900 cm À1 was attributed to the stretching vibration of TiÀO in TiO 2 . [15] The successful attachment of the pyridine ligand to the alkynyl-modified rGO surface was evidenced by the complete disappearance of the alkynyl vibrational mode at 2110 cm À1 and appearance of a new peak at 1400 cm À1 that was assigned to the vibration of a 1,2,3-triazole ring.…”