Simultaneous tuning of particle size and phase composition of TiO2- nanoparticles by a simple liquid immiscibility strategy

Wang, Cen; Ge, Xuan; Fan, Honglei; Yang, Fan; Hu, Qiaodan; Li, Jianguo

doi:10.1016/j.jmst.2022.10.026

Cited by 3 publications

(2 citation statements)

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“…For example, Jia et al [8] prepared TiO 2 nanotubes with rich oxygen vacancies through electrochemical anodization of a Ti foil, followed by high-temperature annealing in hydrogen, and reported enhanced electrocatalytic performance, including a better Faradaic efficiency, selectivity, conversion, and ammonia yield than untreated TiO 2 . An improvement in performance using the oxygen vacancy in undoped TiO 2 was also reported by Wei et al [9] and Wang et al [10]. On the other hand, chemical doping of transition metals such as Fe and Co has also been reported as effective for boosting nitrate-to-ammonia conversion.…”

Section: Introductionmentioning

confidence: 59%

“…Previous studies have shown that the electrocatalytic properties of TiO 2 for nitrateto-ammonia conversion can be improved by introducing oxygen vacancies and chemical doping [8][9][10][11][12]. For example, Jia et al [8] prepared TiO 2 nanotubes with rich oxygen vacancies through electrochemical anodization of a Ti foil, followed by high-temperature annealing in hydrogen, and reported enhanced electrocatalytic performance, including a better Faradaic efficiency, selectivity, conversion, and ammonia yield than untreated TiO 2 .…”

Section: Introductionmentioning

confidence: 99%

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Nitrate Reduction Reaction on Zr-Doped TiO2 (101) Surfaces Investigated by First-Principles Calculations

He,

Yang,

et al. 2023

Crystals

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Electrochemical nitrate reduction to ammonia is an efficient strategy for nitrate removal and ammonia production in ambient conditions. TiO2 is a promising electrocatalyst for such a reaction, but chemical doping is still needed to further improve the electrocatalytic properties of TiO2. Here, we investigated the effect of Zr-doping on the nitrate reduction reaction processes on the (101) surface of anatase TiO2 using first-principles calculations. Two models with different Zr-doping levels were built. The reaction pathways and the potential-determining steps were established based on a thorough investigation of the variation in Gibbs free energy of each possible elementary step. The results show that a high level of Zr doping was effective to lower the Gibbs free energy for nitrate adsorption; however, Zr doping may promote the competing hydrogen evolution reaction (HER) by reducing the adsorption Gibbs free energy of H. Moreover, Zr doping also increases the adsorption Gibbs free energies for the intermediate products NO2 and NO, which may result in an earlier termination of the reaction, by releasing the intermediates as the final products without producing ammonia. Therefore, Zr doping may decrease the Faradaic efficiency and selectivity of TiO2 for the reaction and should be treated with caution experimentally.

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Section: Introductionmentioning

confidence: 59%

Section: Introductionmentioning

confidence: 99%

Nitrate Reduction Reaction on Zr-Doped TiO2 (101) Surfaces Investigated by First-Principles Calculations

He,

Yang,

et al. 2023

Crystals

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Sulfur doping concentration effect on the electronic and structural properties of ZnO nanoparticles: Insights from DFTB calculations

Kurban

2023

Computational and Theoretical Chemistry

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Tuning enhanced dielectric properties of (Sc3+–Ta5+) substituted TiO2 via insulating surface layers

Tuichai,

Srepusharawoot,

Danwittayakul

et al. 2024

Sci Rep

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In this study, we achieved significantly enhanced giant dielectric properties (EG-DPs) in Sc3+–Ta5+ co-doped rutile-TiO2 (STTO) ceramics with a low loss tangent (tanδ ≈ 0.05) and high dielectric permittivity (ε′ ≈ 2.4 × 104 at 1 kHz). We focused on investigating the influence of insulating surface layers on the nonlinear electrical properties and the giant dielectric response. Our experimental observations revealed that these properties are not directly correlated with the grain size of the ceramics. Furthermore, first-principles calculations indicated the preferred formation of complex defects, specifically 2Ta diamond and 2ScVo triangular-shaped complexes, within the rutile structure of STTO; however, these too showed no correlation. Consequently, the non-Ohmic properties and EG-DPs of STTO ceramics cannot be predominantly attributed to the grain boundary barrier layer capacitor model or to electron-pinned defect-dipole effects. We also found that the semiconducting grains in STTO ceramics primarily arise from Ta5+, while Sc3+ plays a crucial role in forming a highly resistive outer surface layer. Notably, a significant impact of grain boundary resistance on the nonlinear electrical properties was observed only at lower co-dopant concentrations in STTO ceramics (1 at%). The combination of low tanδ values and high ε′ in these ceramics is primarily associated with a highly resistive, thin outer-surface layer, which substantially influences their non-Ohmic characteristics.

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Simultaneous tuning of particle size and phase composition of TiO2- nanoparticles by a simple liquid immiscibility strategy

Cited by 3 publications

References 30 publications

Nitrate Reduction Reaction on Zr-Doped TiO2 (101) Surfaces Investigated by First-Principles Calculations

Nitrate Reduction Reaction on Zr-Doped TiO2 (101) Surfaces Investigated by First-Principles Calculations

Sulfur doping concentration effect on the electronic and structural properties of ZnO nanoparticles: Insights from DFTB calculations

Tuning enhanced dielectric properties of (Sc3+–Ta5+) substituted TiO2 via insulating surface layers

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