Hybrid nanostructures based on titanium dioxide for enhanced photocatalysis

Reddy, Kakarla Raghava; Hassan, Mahbub; Gomes, Vincent G.

doi:10.1016/j.apcata.2014.10.001

Cited by 675 publications

(191 citation statements)

References 184 publications

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“…16,20 Note however, that the lowest-energy unoccupied states are all graphene-based (both at the bottom of the conduction band and just above the Fermi level), therefore the thermodynamically favourable process is for the photoexcited electrons to eventually decay to these lowest-energy unoccupied carbon states. Thus, photoexcited charge transfer from graphene to TiO 2 is likely to be only a transient phenomenon (cf.…”

Section: Electronic Properties Of the Rutile (110)/graphene Interfacementioning

confidence: 99%

“…13,30,31 Originally it was proposed that the large surface areas and electrical conductivities of these carbon nanostructures should help e ciently separate generated charge carriers, thus enhancing photocatalytic eciency. 16,20 Numerous experimental studies 22,24,30,32 37 have demonstrated that the addition of graphene and carbon nanotubes to TiO 2 also extends the photon absorption spectrum of the material into the visible region.…”

Section: Introductionmentioning

confidence: 99%

“…1,15 Anchoring CdS to the surface of TiO 2 has been shown to increase photocatalytic activity notably and longevity to some extent, however issues with photocorrosion in particular pose a problem for potential industrial applications. 6,14,19 More recently, studies have been focussed on carbon-nanostructure/TiO 2 composite materials, 16,17,20,21 starting with carbon nanotubes (NTs) 22 27 following their isolation in the early 1990s. 28 Following a novel synthesis technique by Williams et al, 29 there has been a surge in interest in composites of TiO 2 with graphene.…”

Section: Introductionmentioning

confidence: 99%

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Electronic Structure and Charge Transfer in the TiO₂ Rutile (110)/Graphene Composite Using Hybrid DFT Calculations

Gillespie

Martsinovich

2017

J. Phys. Chem. C

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Composite systems of TiO 2 with nanocarbon materials, such as graphene, graphene oxide and carbon nanotubes, have proven to be e cient photocatalyst materials. However, detailed understanding of their electronic structure and the mechanisms of the charge transfer processes is still lacking. Here, we use hybrid density functional theory calculations to analyse the electronic properties of the ideal rutile (110)-graphene interface, in order to understand experimentally observed trends in photoinduced charge transfer. We show that the potential energy surface of pristine graphene physisorbed above rutile (110) is relatively at, enabling many possible positions of graphene above the rutile (110) surface. We verify that tensile and compressive strain has negligible e ect on the electronic properties of graphene at low levels of strain. By analysing the band structure of this composite material and the composition of the valence and conduction band edges, we show that both the highest occupied states and the lowest unoccupied states of this composite are dominated by graphene, and that there is also a signi cant contribution of Ti orbitals to the two lowest unoccupied bands. We suggest that a transition from graphene-dominated occupied bands to mixed graphene and TiO 2 -based unoccupied bands is responsible for the experimentally observed photoinduced charge transfer from graphene to TiO 2 under visible light irradiation; however, the most stable state for an excess (e.g. photoexcited) electron is localised on the carbon orbitals, which make up the lowest-energy conduction band. This separation of photogenerated electrons and holes makes TiO 2 -graphene an e cient photocatalyst material.

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Section: Electronic Properties Of the Rutile (110)/graphene Interfacementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Electronic Structure and Charge Transfer in the TiO₂ Rutile (110)/Graphene Composite Using Hybrid DFT Calculations

Gillespie

Martsinovich

2017

J. Phys. Chem. C

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“…Specific functionalization of a polymer can provide specific environmentally responsive physical properties. Functionalization in general can be designed to enhance the photocatalytic properties of a material for solar cell applications, 19 the optical and magnetic responsiveness of nanomaterials can also be controlled through functionalization 20 and functionalization of biodegradable polymers was used successfully for tissue engineering applications. 21 In the field of drug delivery, the functionalization of a nanostructure can be designed for a direct release of the drug.…”

Section: Design and Synthesis Of The Drug Carriermentioning

confidence: 99%

Advancements in Polymer Science: ‘Smart’ Drug Delivery Systems for the Treatment of Cancer

Szewczuk¹

2017

MOJPS

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“…Reddy et al reported that Tio 2 -based composite systems including polymers and carbon nano materials as photo catalysts [16]. Nishimoto reported that a robust rough titanium dioxide surface exhibited superoleophobicity towards under water [17].…”

Section: Introductionmentioning

confidence: 99%

The Preparation and the Release Properties of Nanometer Titanium Dioxide

Bi¹,

Liu²,

Wen³

et al. 2017

JRST

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Nano titanium dioxide (TiO 2 ) was synthesized by using butyl titanium as raw material with sol-gel method and assisted with ultrasound. The products were characterized by X-Ray diffraction (XRD), Fourier transform infrared spectrophotometry (FTIR). The effects of hydrothermal temperature, ultrasonic time, ultrasonic power and acetic acid dosage were all investigated, and the optimal conditions for the crystal of nano TiO 2 were acid dosage 8 mL, temperature at 40°C, extration time 50 min and the ultrasonic power 240 W. A series of drug release experiments were employed in vitro, we found that the maximum drug loading rate reached 67.30%. The results reveal that nano TiO 2 is a promising biomedical nanomaterial in the application of drug loading system.

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Hybrid nanostructures based on titanium dioxide for enhanced photocatalysis

Cited by 675 publications

References 184 publications

Electronic Structure and Charge Transfer in the TiO₂ Rutile (110)/Graphene Composite Using Hybrid DFT Calculations

Electronic Structure and Charge Transfer in the TiO₂ Rutile (110)/Graphene Composite Using Hybrid DFT Calculations

Advancements in Polymer Science: ‘Smart’ Drug Delivery Systems for the Treatment of Cancer

The Preparation and the Release Properties of Nanometer Titanium Dioxide

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Hybrid nanostructures based on titanium dioxide for enhanced photocatalysis

Cited by 675 publications

References 184 publications

Electronic Structure and Charge Transfer in the TiO2 Rutile (110)/Graphene Composite Using Hybrid DFT Calculations

Electronic Structure and Charge Transfer in the TiO2 Rutile (110)/Graphene Composite Using Hybrid DFT Calculations

Advancements in Polymer Science: ‘Smart’ Drug Delivery Systems for the Treatment of Cancer

The Preparation and the Release Properties of Nanometer Titanium Dioxide

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Product

Resources

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Electronic Structure and Charge Transfer in the TiO₂ Rutile (110)/Graphene Composite Using Hybrid DFT Calculations

Electronic Structure and Charge Transfer in the TiO₂ Rutile (110)/Graphene Composite Using Hybrid DFT Calculations