Titanium oxide based mesoporous powders and gels: Doping effects and photogenerated charge transfer

Kassiba, A.; Pattier, Bruno; Henderson, Mark J.; Makowska‐Janusik, M.; Peng, Mei Mei; Gibaud, Alain

doi:10.1016/j.mseb.2012.02.018

Cited by 7 publications

(3 citation statements)

References 19 publications

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“…As wide band gap semiconductor, it is extensively used in the field of photocatalysis and mainly exploited in solar cells technologies. − From the environmental side, titanium dioxide is nontoxic and resistant to chemical attacks and corrosion . Versatile synthesis procedures such as rf-sputtering, metal organic chemical vapor deposition (MOCVD) technique, or sol–gel technology lead to several morphologies of TiO 2 such as thin films, nanoparticles, quantum dots, and other mixed phases such as core–shell structures. − The main crystalline polytypes consist of anatase, rutile, and brookite structures, and their stabilization depends on the synthesis conditions and the required phase for a given applications. Photocatalysis reactions seem to be favored by the anatase polytype, as demonstrated in several reports, , while the TiO 2 with a large anatase-to-rutile ratio exhibits a higher photocatalitic activity than the pure anatase or rutile phases .…”

Section: Introductionmentioning

confidence: 99%

Cluster Approach To Model Titanium Dioxide as Isolated or Organic Dye Sensitized Nanoobjects

et al. 2014

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International audienceThis paper proposes the cluster approach methodology to simulate electronic properties of semiconducting isolated nanocrystalline materials as well as functionalized by organic dye molecules. The proposed cluster approach considers the nanoobject construction with the crystal structure in the internal part while the surface is modified according to the environmental interaction. In this aim, the (TiO2)n clusters with n = 2-140, indoline dye molecule D102, and their hybrid composites were investigated. The electronic properties of (TiO2)n were computed thanks to different DFT potentials, considering the nanobject sizes evaluation, their environmental surface modification and saturation, and the interface effects occurring between the cluster and sensitizer. The studies prove that the electronic features of (TiO2)n nanoparticles with surface being altered by the external environment may be coherently computed using DFT methodology with LC-BLYP potential by modifying the long-range separation parameter μ. The values of μ depend on the composition of the investigated system, whereas the surface saturation of the studied clusters possessing suitable size did not have any critical impact on their electronic properties. It is shown that the developed methodology is also relevant to characterize the charge transfer involved in the hybrid forms associating dye molecules and (TiO2)n clusters. The mentioned process is crucial in the efficiency of photovoltaic devices based on the hybrid systems

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Section: Introductionmentioning

confidence: 99%

Cluster Approach To Model Titanium Dioxide as Isolated or Organic Dye Sensitized Nanoobjects

et al. 2014

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“…In general, the compactness of films has an agreement with the increase in DMF doses [46]. The main reason is that the slight DMF injection results in the TiO2 particle clustering during the crystalline formation [39,40], leading to the increased transmittance and decreased reflectance. However, the excess DMF dose leads to the weakening transmittance and reflectance, probably owing to the abundant bonding of Ti and oxygen.…”

Section: Effect Of Annealingmentioning

confidence: 73%

“…The reason for the shift of peak position is attributed to the presence of coexisting crystalline phases induced by the phase-transition phenomena between β-TiO 2 and λ-TiO 2 [37]. The non-stoichiometric components of Ti metal may be another reason [38][39][40]. Some researchers point out that this crystalline phase belongs to the anatase (101), and similar studies for solution engineering via the spin-coating method also reveals the single-crystal-like TiO 2 films [41].…”

Section: Resultsmentioning

confidence: 99%

The Effects of Annealing Temperatures and Dimethylformamide Doses on Porous TiO2 Films

Huang

et al. 2022

Crystals

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In this study, we develop a facile and feasible synthetic technique for producing denser porous titanium dioxide (TiO2) films. The porous TiO2 films are effectively prepared using a sol–gel process with dimethylformamide (DMF). The TiO2 solution is synthesized by adjusting DMF doses ranging from 0 to 10 wt%, and the as-grown TiO2 films are further annealed at different temperatures from 300 to 500 °C. The TiO2 films exhibit an asymmetry anatase TiO2 phase as annealing temperatures increase, and a denser structure as DMF doses increase. The optical properties of all samples are studied, and the porous TiO2 obtained by 7.5 wt% DMF dose demonstrates a remarkable transmittance and reflectance of 51.87% and 27.55%, respectively, in the visible region from 350 to 850 nm when compared to the pure TiO2 films. The calculated band gap values range from 3.15 to 3.25 eV. Furthermore, the resistivity of 350 °C-annealed porous TiO2 thin film is determined by the Hall effect, revealing an increase from 4.46 to an of average 4.79 ohm · cm after injecting DMF solvent. These findings have the potential to assist a growing number of optoelectronic applications.

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Photoactive Semiconducting Oxides for Energy and Environment: Experimental and Theoretical Insights

Makowska‐Janusik

Kassiba²

2017

Handbook of Computational Chemistry

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Titanium oxide based mesoporous powders and gels: Doping effects and photogenerated charge transfer

Cited by 7 publications

References 19 publications

Cluster Approach To Model Titanium Dioxide as Isolated or Organic Dye Sensitized Nanoobjects

Cluster Approach To Model Titanium Dioxide as Isolated or Organic Dye Sensitized Nanoobjects

The Effects of Annealing Temperatures and Dimethylformamide Doses on Porous TiO2 Films

Photoactive Semiconducting Oxides for Energy and Environment: Experimental and Theoretical Insights

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