Significant study of BaTiO3 as a cathode for magnesium battery applications

Yacout, Nasser; Refai, H. S.; Kebede, Mesfin Abayneh; Salman, F.; Sheha, E.

doi:10.1016/j.matchemphys.2022.126770

Cited by 12 publications

(7 citation statements)

References 35 publications

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“…3 V. In any case, the experimental results obtained under different conditions confirm the theoretical results about the unfavorable intercalation of Mg into the bulk of LLTO. However, we cannot discard the intercalation of Mg in other perovskite-type compounds and under different experimental conditions. , …”

Section: Resultsmentioning

confidence: 98%

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A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type A_xLa_yTiO₃ (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments

Vicente

Medina

Alcántara

2022

ACS Appl. Energy Mater.

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Perovskite-type titanates are candidates as a solid-state electrolyte for alkali metal-ion batteries, although their composition, synthesis temperature, microstructure, and cationic disorder influence on their ionic conductivity must be optimized. On the other hand, it is less known that perovskite-type lithium lanthanum titanate is interesting as electrode material for lithium batteries. Its reversible capacity is strongly affected by the ion distribution. Having this in mind, we have evaluated titanate perovskites A x La y TiO3, with A = Li, Na and (x + y) ≤ 1, as electrode active material for lithium, sodium, and magnesium batteries. We discuss whether the structure has available sites for further intercalation of univalent (lithium and sodium) and divalent (magnesium) cations. Using both theoretical calculations and experimental results, it is concluded and justified that A x La y TiO3 is very suitable as an electrode for lithium batteries at room temperature, but not for sodium and magnesium batteries.

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Section: Resultsmentioning

confidence: 98%

“…However, we cannot discard the intercalation of Mg in other perovskite-type compounds and under different experimental conditions. 46,47…”

Section: Electrochemistry Of Llto In a Mgmentioning

confidence: 99%

A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type A_xLa_yTiO₃ (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments

Vicente

Medina

Alcántara

2022

ACS Appl. Energy Mater.

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“…Owing to their tunable properties, ATiO 3 -type oxide perovskites (A = Ba, Sr, Ca) are promising materials with a range of applications in optoelectronics, gas sensors, transistors, catalysis, , energy storage devices, and photocatalysis. − Importantly, their performance is determined by their carrier concentration (n- or p-type), which depends on the ionic vacancies, doping, and defect chemistry/density. , BaTiO 3 (BTO), one of the widely known perovskite oxides, typically exhibits a strong n-type behavior (carrier concentration ≥10 19 cm −3 ) . Due to the size differences of Ba and Ti, BTO is highly susceptible to substitution/doping of various metal ions at both sites, thus offering a key tool to control its carrier concentration.…”

Section: Introductionmentioning

confidence: 99%

“…Owing to their tunable properties, ATiO 3 -type oxide perovskites (A = Ba, Sr, Ca) are promising materials with a range of applications in optoelectronics, 1 gas sensors, 2 transistors, 3 catalysis, 4,5 energy storage devices, 6 and photocatalysis. 7−9 Importantly, their performance is determined by their carrier concentration (n-or p-type), which depends on the ionic vacancies, doping, and defect chemistry/density.…”

Section: Introductionmentioning

confidence: 99%

Iridium-Doping as a Strategy to Realize Visible-Light Absorption and p-Type Behavior in BaTiO₃

et al. 2023

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BaTiO 3 (BTO) typically demonstrates a strong ntype character with absorption only in the ultraviolet (λ ≤ 390 nm) region. Extending the applications of BTO to a range of fields necessitates a thorough insight into how to tune its carrier concentration and extend the optical response. Despite significant progress, simultaneously inducing visible-light absorption with a controlled carrier concentration via doping remains challenging. In this work, a p-type BTO with visible-light (λ ≤ 600 nm) absorption is realized via iridium (Ir) doping. Detailed analysis using advanced spectroscopy/microscopy tools revealed mechanistic insights into the n-to p-type transition. The computational electronic structure analysis further corroborated this observation. This complementary data helped establish a correlation between the occupancy and the position of the dopant in the band gap with the carrier concentration. A decrease in the Ti 3+ donor-level concentration and the mutually correlated oxygen vacancies upon Ir doping is attributed to the p-type behavior. Due to the formation of Ir 3+ /Ir 4+ in-gap energy levels within the forbidden region, the optical transition can be elicited from or to such levels, resulting in visible-light absorption. This newly developed Ir-doped BTO is a promising semiconductor with imminent applications in solar fuel generation and optoelectronics.

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“…This property gives BaTiO 3 the ability to immobilize the polar poly-sulde molecules via chemical adsorption, reducing polysulde shuttling and improving the cycle life of Mg-S cells. 2,3,4 The electrolyte controls the electrochemical activity, safety stability, and thermodynamics of the batteries. Therefore, designing an efficient magnesium electrolyte compatible with sulfur's electrophilic nature will be essential to achieving a practical Mg-S battery.…”

Section: Introductionmentioning

confidence: 99%

Probing the effect of ethylene carbonate on optimizing the halogen-free electrolyte performance for Mg sulfur batteries

et al. 2023

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Significant study of BaTiO3 as a cathode for magnesium battery applications

Cited by 12 publications

References 35 publications

A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type A_xLa_yTiO₃ (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments

A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type A_xLa_yTiO₃ (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments

Iridium-Doping as a Strategy to Realize Visible-Light Absorption and p-Type Behavior in BaTiO₃

Probing the effect of ethylene carbonate on optimizing the halogen-free electrolyte performance for Mg sulfur batteries

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Significant study of BaTiO3 as a cathode for magnesium battery applications

Cited by 12 publications

References 35 publications

A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type AxLayTiO3 (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments

A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type AxLayTiO3 (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments

Iridium-Doping as a Strategy to Realize Visible-Light Absorption and p-Type Behavior in BaTiO3

Probing the effect of ethylene carbonate on optimizing the halogen-free electrolyte performance for Mg sulfur batteries

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A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type A_xLa_yTiO₃ (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments

A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type A_xLa_yTiO₃ (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments

Iridium-Doping as a Strategy to Realize Visible-Light Absorption and p-Type Behavior in BaTiO₃