Enhancing energy storage performance in BaTiO3 ceramics via Mg and La co-doping strategy

Journal of Materials Science Materials in Electronics, Год журнала: 2024, Номер 35(15)

Опубликована: Май 1, 2024

Язык: Английский

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Ultra-violet photodetection, photoluminescence and energy storage properties of LaMnO3 and BiFeO3 doped BaTiO3 – A multifunctional nanoceramic

Journal of Energy Storage, Год журнала: 2024, Номер 99, С. 113200 - 113200

Опубликована: Авг. 8, 2024

Язык: Английский

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Dielectric and optical properties of BaPr2Ti4O12 synthesized by solid-phase reaction

Ceramics International, Год журнала: 2025, Номер unknown

Опубликована: Март 1, 2025

Язык: Английский

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Visible active novel 3D/2D SrTiO3/Bi2MoO6 heterojunction catalysts for photocatalytic HER/OER and overall water splitting

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 161947 - 161947

Опубликована: Март 1, 2025

Язык: Английский

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DFT-Machine Learning Joint Exploration of Transition Metal-Doped Ferroelectric BaTiO₃ for Electrocatalytic Hydrogen Evolution

ACS Applied Materials & Interfaces, Год журнала: 2025, Номер unknown

Опубликована: Июнь 4, 2025

Doping regulation holds promise to modulate electrocatalytic performance, yet it remains largely unexplored for ferroelectric (FE) BaTiO3 (BTO). By jointly employing first-principles calculations and machine learning (ML) analysis, we examine the effect of a broad range transition metal (TM) doping in FE BTO on hydrogen evolution reaction (HER) activity screen out optimal TM dopants. We unveil that some early-to-middle group (V, Cr, Mo, Ta, Ru)-doped surfaces feature higher synthesizability, which also exhibit noticeable HER with |ΔGH*| < 0.2 eV owing intermediate adsorption strength. Among all doped surfaces, Mo-doped one shows under both out-of-plane in-plane polarization states. reveal an intense interplay between configuration corresponding bonding interaction, relies more than state. Most importantly, propose physically informed descriptor surface oxygen p band, better describes trends TM-doped conventional band descriptors.This indicates significance fractional filling bandwidth occupied p-band Moreover, establish robust ML model can well predict surface-independent input parameters alone R2 value above 0.93. From these parameters, identify inherent outer electron number dopant as dominant feature, while second ionization energy initial state show non-negligible importance. These findings could enlighten understanding, rational design, accelerated discovery element materials catalysis other implications.

Язык: Английский

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Chemically driven BaTiO3–CoFe2O4 nanocomposite with strong dielectric and low leakagecharacteristics for electrocatalytic water splitting reaction

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 91, С. 1 - 15

Опубликована: Окт. 13, 2024

Язык: Английский

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BaTiO3-BiMnO3 Perovskite NTC Thermistors for High-Temperature Batteries

Journal of Alloys and Compounds, Год журнала: 2024, Номер 1011, С. 178396 - 178396

Опубликована: Дек. 30, 2024

Язык: Английский

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