Remarkably high proton conductivity in cubic perovskite-related Ba<sub>3</sub>WO<sub>6</sub>

Yang, Jian; Lv, Yuzhen; Xu, Xiangyu; Song, Xingping; Wei, Huina; Tian, Mingyi; Xu, Jungu

doi:10.1039/d2ta04282g

Cited by 5 publications

(4 citation statements)

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“…Below this temperature, the conductivities increased rapidly, whereas from 400 to 550 °C, much slower increases were observed and even decreased at 600 °C, which was ascribed to the decrease of proton concentration due to thermal dehydration. Such a decrease in proton conductivity at elevated temperatures was also observed in other known proton conductors. − The activation energies for the conductivities of these Li-doped within the temperature region of 400–550 °C were 0.26–0.32 eV, which are obviously lower than that (∼0.4–0.6 eV) in typical (Ba/Sr)(Zr/Ce)O 3 -based proton conductors and comparable to that of the recently reported highly proton-conducting hydrogen-intercalated SrCoO 2.5 and SmNiO 3 materials.…”

Section: Results and Discussionsupporting

confidence: 80%

“…Such an approximately treating way for the proton conductivity is also reported in some previous literatures. 28,32,33 We can see that the proton conductivities of the LaBaGa 0.7 Li 0.3 O 3.7 material reported in the present work, higher than 10 −3 S cm −1 above 350 °C, are significantly higher than those of La 0.8 Ba 1.2 GaO 3.9 (LBGO) 17 and the other known representative materials, LaNbO 4 -based (LNO) 34 and LaPO 4 -based (LPO) 35 materials, and comparable to those reported for the typical Y-doped BaCeO 3 (BCY) and BaZrO 3 (BZY) perovskite proton conductors. 27…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Significantly Improved Proton Conduction in LaBaGaO₄through Li-Doping

Duan,

Chen,

Hou

et al. 2024

ACS Appl. Electron. Mater.

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The La1–x Ba1+x GaO4–0.5x (x ≤ 0.2) materials were previously reported to be proton conductors, but the relatively low conductivity, e.g., ∼4.0 × 10–4 S/cm at 600 °C, hindered their further practical applications. Herein, we show that the lithium substitution for gallium could significantly improve the proton conductivity, ∼1.12 × 10–3–6.38 × 10–3 S/cm over 350–600 °C, which was more than one order of magnitude higher than La1–x Ba1+x GaO4–0.5x and comparable to the state-of-the-art BaCeO3-based materials. Such significantly improved proton conductivities were attributed to the obviously improved oxygen vacancy concentration coupled with a phase transition from the noncentrosymmetric structure (P212121) to a higher symmetry centrosymmetric cell (Pcca). These Li-doped LaBaGaO4 materials with remarkably high proton conductivities present a big advance and show great application prospects for being used as electrolytes for proton-conducting fuel cells.

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Section: Results and Discussionsupporting

confidence: 80%

Section: ■ Results and Discussionmentioning

confidence: 99%

Significantly Improved Proton Conduction in LaBaGaO₄through Li-Doping

Duan,

Chen,

Hou

et al. 2024

ACS Appl. Electron. Mater.

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“…227 The material with a nominal composition of Ba 3 WO 6 was prepared, while the actual composition was Ba 2.75 WO 5.75 . 228 With the presence of cation vacancies and disorder of oxide ions in the cubic perovskite structure, the proton conductivity reaches 1.75 × 10 −2 S cm −1 in a humid atmosphere at 500 °C. 228…”

Section: Strategies For Electrochemical Performance Enhancementmentioning

confidence: 99%

“…228 With the presence of cation vacancies and disorder of oxide ions in the cubic perovskite structure, the proton conductivity reaches 1.75 × 10 −2 S cm −1 in a humid atmosphere at 500 °C. 228…”

Section: Strategies For Electrochemical Performance Enhancementmentioning

confidence: 99%

A review of progress in proton ceramic electrochemical cells: material and structural design, coupled with value-added chemical production

Wang,

Ling,

Wang

et al. 2023

Energy Environ. Sci.

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Harnessing High‐Throughput Computational Methods to Accelerate the Discovery of Optimal Proton Conductors for High‐Performance and Durable Protonic Ceramic Electrochemical Cells

Luo,

Hu,

Zhou

et al. 2024

Advanced Materials

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The pursuit of high‐performance and long‐lasting protonic ceramic electrochemical cells (PCECs) has been impeded by the lack of efficient and enduring proton conductors. Conventional research approaches, predominantly based on a trial‐and‐error methodology, have proven to be demanding of resources and time‐consuming. Here we report our findings in harnessing high‐throughput computational methods to expedite the discovery of optimal electrolytes for PCECs. We methodically computed the oxygen vacancy formation energy (EV), hydration energy (EH), and the adsorption energies of H2O and CO2 for a set of 932 oxide candidates. Notably, our findings highlight BaSnxCe0.8‐xYb0.2O3‐δ (BSCYb) as a prospective game‐changing contender, displaying superior proton conductivity and chemical resilience when compared to the well‐regarded BaZrxCe0.8‐xY0.1Yb0.1O3‐δ (BZCYYb) series. Experimental validations substantiate our computational predictions; PCECs incorporating BSCYb as the electrolyte achieved extraordinary peak power densities in the fuel cell mode (0.52 and 1.57 W cm−2 at 450 and 600°C, respectively), a current density of 2.62 A cm−2 at 1.3 V and 600°C in the electrolysis mode while demonstrating exceptional durability for over 1000 hours when exposed to 50% H2O. This research underscores the transformative potential of high‐throughput computational techniques in advancing the field of proton‐conducting oxides for sustainable power generation and hydrogen production.This article is protected by copyright. All rights reserved

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Remarkably high proton conductivity in cubic perovskite-related Ba₃WO₆

Abstract: The Ba3WO6 material was reported to have seven kinds of polymorphs. However, the crystal structures of most of them were not established. In this work, the polymorph (we call α−Ba3WO6...

Cited by 5 publications

References 31 publications

Significantly Improved Proton Conduction in LaBaGaO₄through Li-Doping

Significantly Improved Proton Conduction in LaBaGaO₄through Li-Doping

A review of progress in proton ceramic electrochemical cells: material and structural design, coupled with value-added chemical production

Harnessing High‐Throughput Computational Methods to Accelerate the Discovery of Optimal Proton Conductors for High‐Performance and Durable Protonic Ceramic Electrochemical Cells

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Remarkably high proton conductivity in cubic perovskite-related Ba3WO6

Abstract: The Ba3WO6 material was reported to have seven kinds of polymorphs. However, the crystal structures of most of them were not established. In this work, the polymorph (we call α−Ba3WO6...

Cited by 5 publications

References 31 publications

Significantly Improved Proton Conduction in LaBaGaO4through Li-Doping

Significantly Improved Proton Conduction in LaBaGaO4through Li-Doping

A review of progress in proton ceramic electrochemical cells: material and structural design, coupled with value-added chemical production

Harnessing High‐Throughput Computational Methods to Accelerate the Discovery of Optimal Proton Conductors for High‐Performance and Durable Protonic Ceramic Electrochemical Cells

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Remarkably high proton conductivity in cubic perovskite-related Ba₃WO₆

Significantly Improved Proton Conduction in LaBaGaO₄through Li-Doping

Significantly Improved Proton Conduction in LaBaGaO₄through Li-Doping