TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation

Moura, Kleber Figueiredo de; Maul, Jefferson; Albuquerque, Anderson R.; Casali, G.; Longo, E.; Keyson, David V.; Souza, A. G.; Sambrano, Júlio R.; Santos, I. M. G.; Carrijo, Luiz Edmundo

doi:10.1016/j.jssc.2013.11.023

Cited by 39 publications

(17 citation statements)

References 40 publications

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“…It is worth remembering that pure density functionals like GGA and LDA usually underestimate band gaps, while hybrid functionals, as the B3LYP used in this work, usually provide a good agreement with experimental values. 34,[48][49][50] However, calculations performed in parallel for β-PbO 2 using both B3LYP and HSE06 functionals gave a band gap value of 0.21 eV, while the experimental value is 0.61 eV. 4 Thus, both the functionals tried for us underestimated the β-PbO 2 band gap for about 66% respecting to the experimental value.…”

Section: -47mentioning

confidence: 84%

Conducting Behavior of Crystalline α-PbO2 as Revealed by DFT Calculations

2017

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PbO 2 is one material that has recently emerged as potential transparent conducting oxide for applications in the modern opto-electronic industry. In this work the electronic structure of the α-PbO 2 polymorph has been investigated, aiming to contribute to the understanding of its high levels of conductivity. DFT calculations using B3LYP hybrid density functional and considering long range interactions among the atoms have been performed. A direct band gap of 0.90 eV has been found, compatible with high conductivity values. Although the stoichiometric material is somewhat transparent, the band structure indicates that appropriated modifications in the material Fermi level can be performed in order to decrease the absorption of light. Charge distribution plus overlap population analysis show that the material is predominantly ionic. The charge distribution throughout the material is strongly dependent on the crystal direction. Results suggest that α-PbO 2 can be potentially more interesting for opto-electronic purposes than the β polymorph.

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Section: -47mentioning

confidence: 84%

Conducting Behavior of Crystalline α-PbO2 as Revealed by DFT Calculations

2017

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“…Electron microscopy has demonstrated that titanium oxide particles are obtained when a reaction time of up to 30 minutes is used, but a morphology change also occurs when a reaction time of 60 minutes is used when the formation of morphologies has been observed rod type. The anatase phase was obtained only after 1 min of reaction in addition to a small amount of brookite phase [47]. Table 6 presents the precursors, parameters and morpho-structural characterization…”

Section: Microwave Assisted Methodsmentioning

confidence: 99%

Review on the titanium oxide for catalytic applications

Modan¹

2019

BUP-JAUTO

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Titanium dioxide (TiO2) presents particular importance, due to its general properties in a wide range of fields, such as catalysis, photocatalysis and antibacterial agents and as nano-paint (self-cleaning). Physical and chemical characteristics of TiO2, particle size and shape, phases of crystalline TiO2 with band gaps that rutile TiO2 of 3.0 eV and anatase TiO2 of 3.2 eV, determine the photocatalytic performance of TiO2. This review presents the theoretical concepts of the structure properties of this oxide and the elaboration methods that make TiO2 the ideal candidate for catalytic applications.

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“…The photocatalytic tests concerning Remazol Golden Yellow azo dye (RNL) were performed in a Labmade reactor, with a low power UVC lamp (E = 4.9 eV or λ = 253 nm; P = 0.5-1 W measured near the sample). Petri dishes (5.5 cm in diameter and 1.5 cm in depth) with 10 mg of the catalyst and 15 mL of the RNL solution (10 mg L −1 ) at pH 6 were positioned 5 cm from the lamp for 4, 8 and 16 h [45,46]. A blank solution was analyzed under the same conditions to evaluate the photolysis, which was calculated as 6.2% of discoloration after 16 h of UV irradiation.…”

Section: Methodsmentioning

confidence: 99%

Photocatalytic evaluation of the magnetic core@shell system (Co,Mn)Fe 2 O 4 @TiO 2 obtained by the modified Pechini method

Neris

Schreiner

Salvador

et al. 2018

Materials Science and Engineering: B

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TiO 2 is a highly active photocatalyst, sometimes obtained with nanometric particle size, which improves its behavior but makes its removal from aqueous media more difficult. To avoid this drawback, this work aims to obtain a photocatalyst easily removable from aqueous media using magnetism. The core@shell system (Co,Mn) Fe 2 O 4 @TiO 2 was prepared by adding commercial (Co,Mn)Fe 2 O 4 nanoparticles to the titanium polymeric resin synthesized by the modified Pechini method. Optimization of photocatalyst properties was achieved by variation of the TiO 2 :ferrite ratio, synthesis temperature and time, followed by their evaluation in photodegradation of an azo dye. The highest efficiency was attained when anatase was the major crystalline phase, whereas TiO 2 :ferrite ratio was limited to 90% to retain the magnetic properties, which enabled its removal from aqueous media using simple magnets. The system (Co,Mn)Fe 2 O 4 @TiO 2 , synthesized with 90% TiO 2 and calcined at 500°C for 8 h, presented a discoloration of 76.3% after 16 h of exposure to UV light.

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TiO2 synthesized by microwave assisted solvothermal method: Experimental and theoretical evaluation

Cited by 39 publications

References 40 publications

Conducting Behavior of Crystalline α-PbO2 as Revealed by DFT Calculations

Conducting Behavior of Crystalline α-PbO2 as Revealed by DFT Calculations

Review on the titanium oxide for catalytic applications

Photocatalytic evaluation of the magnetic core@shell system (Co,Mn)Fe 2 O 4 @TiO 2 obtained by the modified Pechini method

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