Ultrathin (001) and (100) TiO2(B) sheets: Surface reactivity and structural properties

Fernández‐Werner, Luciana; Faccio, Ricardo; Juan, Alfredo; Pardo, Helena; Montenegro, Benjamín; Mombrú, Álvaro W.

doi:10.1016/j.apsusc.2013.11.029

Cited by 25 publications

(16 citation statements)

References 39 publications

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“…The polymorph TiO 2 -B has been studied to a lesser extent and currently, only few theoretical and experimental studies of their properties exist [9][10][11]. Fewer reports are found regarding hydrogen titanate (H 2 Ti 3 O 7 ) [12][13][14].…”

Section: Introductionmentioning

confidence: 99%

A DFT +Ustudy on structural, electronic, vibrational and thermodynamic properties of TiO₂polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’

2017

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Structural, electronic, vibrational and thermodynamic properties have been tested when Hubbard parameter U is implemented in density functional theory calculations for TiO 2 polymorphs: anatase, rutile, TiO 2 -B and for hydrogen titanate (H 2 Ti 3 O 7 ) bulk. Optimum U parameter values were found for each system, balancing geometric changes and electronic properties, namely, U=4 eV for anatase and TiO 2 -B, U=5 eV for rutile and hydrogen titanate. Although the addition of this parameter improves the prediction of electronic properties, with no significant structural changes, we found that it would not be adequate for predicting vibrational properties.

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Section: Introductionmentioning

confidence: 99%

A DFT +Ustudy on structural, electronic, vibrational and thermodynamic properties of TiO₂polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’

2017

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“…Numerous studies about the TiO 2 (B) nanosheets were reported from 2010 to 2015. [ 97–106 ] In this period, The TiO 2 (B) nanosheets were incorporated with oxygen vacancy or composited with electron conductive components including carbonaceous materials, and metal nanoparticles to further enhance the electrochemical properties. [ 11,91,105,107–112 ] In 2013, X. Lou et al.…”

Section: Explosive Stage Of Tio2(b) Anodes: 2010–2015mentioning

confidence: 99%

Bronze‐Phase TiO₂ as Anode Materials in Lithium and Sodium‐Ion Batteries

Liang

Wang

et al. 2022

Adv Funct Materials

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Titanium dioxide of bronze phase (TiO2(B)) has attracted considerable attention as a promising alternative lithium/sodium‐ion battery anode due to its excellent operation safety, good reversible capacity, and environmental friendliness. However, several intrinsic critical drawbacks, including moderate electrochemical kinetics and unsatisfactory long cyclic stability, significantly limit its practical applications. It is crucial to develop reliable strategies to resolve these issues to advance the TiO2(B) based materials into practical applications in lithium/sodium‐ion batteries. In this review, both the theoretical and experimental investigations on the TiO2(B) based materials over the last few decades are chronically elaborated. Insights on the general and detailed evolution trends of the research on TiO2(B) anodes are provided. The review also points to future directions for the TiO2(B) anode research to advance the practical application of TiO2(B) anodes.

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“…Although there is still no consensus on the real‐life applications of TiO 2 in Li‐ion batteries (LIBs), numerous studies focused on the enhancement of the performance of TiO 2 as an anode in Li‐ion systems . If we consider the encouraging capacities of TiO 2 in LIBs, the study of TiO 2 as an anode for Na‐ion batteries (NaBs) is quite logical . Indeed, the post‐LIB era has already started because of concerns about the greenness of Li.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Titania@Carbon Nanocomposite from Urea‐Impregnated Cellulose for Efficient Lithium and Sodium Batteries

et al. 2016

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Nanostructured TiO2 and TiO2@C nanocomposites were prepared directly from urea-impregnated cellulose by a simple reaction/diffusion process and evaluated as negative electrode materials for Li and Na batteries. By direct treatment with TiCl4 under anhydrous conditions, the urea impregnation of cellulose impacts both the TiO2 morphology and the carbon left by cellulose after pyrolysis. Hierarchical TiO2 structures with a flower-like morphology grown from-and-at the surface of the cellulose fibers are obtained without any directing agent. The resulting TiO2/cellulose composite is then transformed either into pure TiO2 flowers by calcination in air at 600 °C, or into TiO2@C nanocomposites by pyrolysis under Ar at 600 °C. Electrochemical studies demonstrate that both samples can (de)insert lithium and sodium ions and are promising electrode materials.

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Ultrathin (001) and (100) TiO2(B) sheets: Surface reactivity and structural properties

Cited by 25 publications

References 39 publications

A DFT +Ustudy on structural, electronic, vibrational and thermodynamic properties of TiO₂polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’

A DFT +Ustudy on structural, electronic, vibrational and thermodynamic properties of TiO₂polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’

Bronze‐Phase TiO₂ as Anode Materials in Lithium and Sodium‐Ion Batteries

Synthesis of Titania@Carbon Nanocomposite from Urea‐Impregnated Cellulose for Efficient Lithium and Sodium Batteries

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Ultrathin (001) and (100) TiO2(B) sheets: Surface reactivity and structural properties

Cited by 25 publications

References 39 publications

A DFT +Ustudy on structural, electronic, vibrational and thermodynamic properties of TiO2polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’

A DFT +Ustudy on structural, electronic, vibrational and thermodynamic properties of TiO2polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’

Bronze‐Phase TiO2 as Anode Materials in Lithium and Sodium‐Ion Batteries

Synthesis of Titania@Carbon Nanocomposite from Urea‐Impregnated Cellulose for Efficient Lithium and Sodium Batteries

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Product

Resources

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A DFT +Ustudy on structural, electronic, vibrational and thermodynamic properties of TiO₂polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’

A DFT +Ustudy on structural, electronic, vibrational and thermodynamic properties of TiO₂polymorphs and hydrogen titanate: tuning the Hubbard ‘U-term’

Bronze‐Phase TiO₂ as Anode Materials in Lithium and Sodium‐Ion Batteries