Synthesis, characterization and simulation of lithium titanate nanotubes for dye sensitized solar cells

Esteves, M. Alexandra; Fernández‐Werner, Luciana; Pignanelli, Fernando; Montenegro, Benjamín; Belluzzi, Marcelo; Pistón, Mariela; Chialanza, Mauricio Rodríguez; Faccio, Ricardo; Mombrú, Álvaro W.

doi:10.1016/j.ceramint.2018.09.233

Cited by 13 publications

(2 citation statements)

References 33 publications

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“…With this correction, the band gap takes values closer to the experimental values without using any other highly demanding computational methods. This methodology has previously been successfully applied in earlier reports to a series of TiO 2 polymorphs, H-titanates, Li-titanates, and Na-titanates. ,– …”

Section: Methodsmentioning

confidence: 99%

Optical and Electronic Properties of TiO₂ Nanoparticles and Na₂Ti₂O₅·H₂O Nanotubes Doped with Transition Metals (Fe, Cu, Ni): An Experimental Study and DFT Modeling

Esteves,

Amy,

Fernández-Werner

et al. 2023

J. Phys. Chem. C

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This paper presents the structural characterization and optical properties of pristine anatase nanoparticles and anatase nanoparticles doped with transition metals (Fe, Cu, Ni) obtained by modified sol−gel methods and their comparison with sodium titanate nanotubes of phase Na 2 Ti 2 O 5 •H 2 O obtained from the aforementioned precursor nanoparticles. Optical properties, in particular the band gap energies and Urbach tails, were studied to improve the model of the absorption edge. No significant changes are observed for the anatase nanoparticles, and a moderate red shift is observed for the indirect band gap energies of the nanotubes. In addition, a greater optical activation is observed, understood in higher Urbach energies, due to the inclusion of impurity states in sodium dititanate systems with respect to anatase nanoparticles and consistent with our DFT electronic and optical calculations. This can be interpreted in terms of the hybridization characteristics of the impurity states that were added to the gap. The doped samples show a better use of the incident solar radiation estimated in terms of the solar weighted absorption coefficient.

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Section: Methodsmentioning

confidence: 99%

Optical and Electronic Properties of TiO₂ Nanoparticles and Na₂Ti₂O₅·H₂O Nanotubes Doped with Transition Metals (Fe, Cu, Ni): An Experimental Study and DFT Modeling

Esteves,

Amy,

Fernández-Werner

et al. 2023

J. Phys. Chem. C

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“…Lithium titanate (LTO) has been extensively applied as an anode in batteries [17], dye-sensitized solar cells [18], and super capacitors [19]. The small size of lithium cations makes it easier to incorporate into the lattice of TiO 2 , either by replacing the O atoms or by occupying the interstitial sites.…”

Section: Introductionmentioning

confidence: 99%

ZnO Surface Doping to Enhance the Photocatalytic Activity of Lithium Titanate/TiO2 for Methylene Blue Photodegradation under Visible Light Irradiation

et al. 2020

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Wastewater contaminated with dyes produced by textile industries is a major problem due to inadequate treatment prior to release into the environment. In this paper, the ability of ZnO to enhance the interfacial photocatalytic activity of lithium titanate/TiO2 (LTO/TiO2) for the photodegradation of methylene blue (MB) under visible light irradiation (4.38 mW/cm2) was assessed. The ZnO-doped lithium titanate/TiO2 (ZnO/LTO/TiO2) was synthesized using a combination of hydrothermal and wetness impregnation methods. The high-resolution transmission electron microscope (HRTEM) and X-ray Diffraction (XRD) analyses indicate that the ZnO/LTO/TiO2 contain several phases (ZnO, LTO, and TiO2). The adsorption capacity of LTO/TiO2 (70%) was determined to be higher compared to its photocatalytic activity (25%), which is attributed to the strong interaction between the Li and surface oxygen atoms with the MB dye molecules. The introduction of ZnO improved the photocatalytic ability of LTO/TiO2 by 45% and extended the life span of ZnO/LTO/TiO2. The ZnO/LTO/TiO2 can be reused without a significant loss up to four cycles, whereas LTO/TiO2 had reduced adsorption after the second cycle by 30%. The ZnO increased the surface defects and restrained the photo-induced electrons (e−) from recombining with the photo-induced holes (h+). Scavenging tests indicated that the hydroxyl radicals played a major role in the photodegradation of MB, which is followed by electrons and holes.

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Hydrogen Titanate H₂TiO₃ Nanowires Derived from K₂TiO₃ as Potential Materials for Solar Cell Applications: A Theoretical Study

et al. 2022

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One‐dimensional systems of titanium dioxide and titanates are interesting for the fundamental study of physical and chemical properties at the nanoscale. In this work we present the electronic structure, mechanical and optical properties of angstrom scale titanate derived nanowires (ASW) by means of density functional theory (DFT) and Density Functional based Tight Binding (DFTB). This one‐dimensional H2TiO3 nanostructure is an interesting real material that could serve for understanding, at a fundamental level, the physical properties of TiO5 concatenated polyhedrons derived from hydrogen titanates. The proposed structural model demonstrates to be locally stable according to phonon analysis, and it can be inferred that the one‐dimension structure is essentially preserved. The mechanical properties put this nanowire as a flexible material, that could be used in flexible substrates maintaining its electronic properties. Also, the capacity of this system to be sensitized with a catechol dye was explored. For this porpoise, the adsorption of the catechol molecule was tested showing that the most stable interaction corresponds to a dissociative chelate configuration. Finally, it was possible to verify the capability of the sensitized system for injecting electrons from the catechol dye to the nanowire under visible light exposure. Thus, we present these extreme one‐dimensional nanostructured materials as candidates for solar cell applications.

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Synthesis, characterization and simulation of lithium titanate nanotubes for dye sensitized solar cells

Cited by 13 publications

References 33 publications

Optical and Electronic Properties of TiO₂ Nanoparticles and Na₂Ti₂O₅·H₂O Nanotubes Doped with Transition Metals (Fe, Cu, Ni): An Experimental Study and DFT Modeling

Optical and Electronic Properties of TiO₂ Nanoparticles and Na₂Ti₂O₅·H₂O Nanotubes Doped with Transition Metals (Fe, Cu, Ni): An Experimental Study and DFT Modeling

ZnO Surface Doping to Enhance the Photocatalytic Activity of Lithium Titanate/TiO2 for Methylene Blue Photodegradation under Visible Light Irradiation

Hydrogen Titanate H₂TiO₃ Nanowires Derived from K₂TiO₃ as Potential Materials for Solar Cell Applications: A Theoretical Study

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Synthesis, characterization and simulation of lithium titanate nanotubes for dye sensitized solar cells

Cited by 13 publications

References 33 publications

Optical and Electronic Properties of TiO2 Nanoparticles and Na2Ti2O5·H2O Nanotubes Doped with Transition Metals (Fe, Cu, Ni): An Experimental Study and DFT Modeling

Optical and Electronic Properties of TiO2 Nanoparticles and Na2Ti2O5·H2O Nanotubes Doped with Transition Metals (Fe, Cu, Ni): An Experimental Study and DFT Modeling

ZnO Surface Doping to Enhance the Photocatalytic Activity of Lithium Titanate/TiO2 for Methylene Blue Photodegradation under Visible Light Irradiation

Hydrogen Titanate H2TiO3 Nanowires Derived from K2TiO3 as Potential Materials for Solar Cell Applications: A Theoretical Study

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Optical and Electronic Properties of TiO₂ Nanoparticles and Na₂Ti₂O₅·H₂O Nanotubes Doped with Transition Metals (Fe, Cu, Ni): An Experimental Study and DFT Modeling

Optical and Electronic Properties of TiO₂ Nanoparticles and Na₂Ti₂O₅·H₂O Nanotubes Doped with Transition Metals (Fe, Cu, Ni): An Experimental Study and DFT Modeling

Hydrogen Titanate H₂TiO₃ Nanowires Derived from K₂TiO₃ as Potential Materials for Solar Cell Applications: A Theoretical Study