Incorporation of protons and hydroxide species in BaZrO<sub>3</sub> and BaCeO<sub>3</sub>

Rowberg, Andrew J. E.; Li, Meng; Ogitsu, Tadashi; Varley, Joel B.

doi:10.1039/d3ma00308f

Mater. Adv.

2023

DOI: 10.1039/d3ma00308f

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Incorporation of protons and hydroxide species in BaZrO₃ and BaCeO₃

Andrew J. E. Rowberg,

Meng Li,

Tadashi Ogitsu

et al.

Abstract: Barium zirconate (BaZrO3, or BZO) and barium cerate (BaCeO3, or BCO) are among the best-performing proton-conducting oxides used as electrolytes in all-solid-state fuel and/or electrolysis cells. During synthesis, they are...

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2024

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Cited by 3 publications

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Proton-polaron and thermionic identity of BaCeO3 polymorph for intermediate temperature fuel cell technology: A first principles and molecular dynamics approach

Vignesh,

Gupta,

Mittal

et al. 2024

International Journal of Hydrogen Energy

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Proton-polaron and thermionic identity of BaCeO3 polymorph for intermediate temperature fuel cell technology: A first principles and molecular dynamics approach

Vignesh,

Gupta,

Mittal

et al. 2024

International Journal of Hydrogen Energy

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Enhanced Proton Conductivity via Lithium-Ion Synergism in Li₂MnO₃ Electrolyte for Protonic Ceramic Fuel Cells

Cheng,

Yu,

Guo

et al. 2024

ACS Sustainable Chem. Eng.

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This study introduces a novel mechanism for enhancing proton conductivity in protonic ceramic fuel cells (PCFCs) through lithium-ion synergy, addressing the limitations posed by structural defects in traditional oxide proton conductors and improving the cell performance at lower temperatures. We repurposed Li 2 MnO 3 (LMO), originally a cathode material for lithium-ion batteries, into a highly effective ionic conducting electrolyte during PCFC operation. The dual conduction mechanism of protons and lithium-ions in LMO was thoroughly investigated using Raman spectroscopy, proton filtering fuel cell tests, the hydrogen isotopic effect on impedance spectroscopy, and distribution of relaxation times (DRT) analysis. Operational tests using H 2 /air revealed that LMO electrolyte achieved a peak power density of 701 mW•cm −2 at 520 °C and exhibited an ionic conductivity of 0.15 S•cm −1 . Critically, the coupling of lithium-ions with protons during the proton embedding process enhanced proton mobility via a new interlayer lithium vacancy-interstitial migration pathway, markedly boosting the proton conductivity and significantly improving fuel cell performance.

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First-principles calculations of proton defect properties in Ca-doped YPO₄

Lee,

Ogawa,

Shitara

et al. 2024

Phys. Chem. Chem. Phys.

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Incorporation of protons and hydroxide species in BaZrO₃ and BaCeO₃

Abstract: Barium zirconate (BaZrO3, or BZO) and barium cerate (BaCeO3, or BCO) are among the best-performing proton-conducting oxides used as electrolytes in all-solid-state fuel and/or electrolysis cells. During synthesis, they are...

Cited by 3 publications

References 77 publications

Proton-polaron and thermionic identity of BaCeO3 polymorph for intermediate temperature fuel cell technology: A first principles and molecular dynamics approach

Proton-polaron and thermionic identity of BaCeO3 polymorph for intermediate temperature fuel cell technology: A first principles and molecular dynamics approach

Enhanced Proton Conductivity via Lithium-Ion Synergism in Li₂MnO₃ Electrolyte for Protonic Ceramic Fuel Cells

First-principles calculations of proton defect properties in Ca-doped YPO₄

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Incorporation of protons and hydroxide species in BaZrO3 and BaCeO3

Abstract: Barium zirconate (BaZrO3, or BZO) and barium cerate (BaCeO3, or BCO) are among the best-performing proton-conducting oxides used as electrolytes in all-solid-state fuel and/or electrolysis cells. During synthesis, they are...

Cited by 3 publications

References 77 publications

Proton-polaron and thermionic identity of BaCeO3 polymorph for intermediate temperature fuel cell technology: A first principles and molecular dynamics approach

Proton-polaron and thermionic identity of BaCeO3 polymorph for intermediate temperature fuel cell technology: A first principles and molecular dynamics approach

Enhanced Proton Conductivity via Lithium-Ion Synergism in Li2MnO3 Electrolyte for Protonic Ceramic Fuel Cells

First-principles calculations of proton defect properties in Ca-doped YPO4

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Product

Resources

About

Incorporation of protons and hydroxide species in BaZrO₃ and BaCeO₃

Enhanced Proton Conductivity via Lithium-Ion Synergism in Li₂MnO₃ Electrolyte for Protonic Ceramic Fuel Cells

First-principles calculations of proton defect properties in Ca-doped YPO₄