ArticleChemistry of materials : a publication of the American Chemical Society2026
Trends for Proton Transport Activity and Stability in Turnbull's Blue Analogues: Theory and Experiments.
Article in Chemistry of materials : a publication of the American Chemical Society, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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Who cites it
1 citing paper in PubMed.
- Prussian Blue Analogue Materials for Seawater Splitting: A Review.International journal of molecular sciences · 2026Review
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Authors and funding
9 authors.
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Abstract
Prussian Blue analogues (PBAs) are promising materials for energy storage and conversion because their robust open-framework structures enable efficient ion intercalation. Among them, Turnbull's Blue analogues (TBAs), a subclass featuring ferrocyanide vacancies, exhibit exceptional rate capability in acidic electrolytes by facilitating rapid proton transport. To optimize TBA performance, understanding how the metal identity influences both proton mobility and structural stability is essential. Here, we combined density functional theory (DFT) calculations with electrochemical characterization experiments to investigate the proton transport activity and stability of TBAs incorporating six metals (Cu, Zn, Mn, Fe, Co, and Ni) under acidic conditions. Our theoretical analysis revealed that the inclusion of Mn, Fe, Co, and Ni enhances proton transport via electron spin-flipping at low-spin Fe sites. Furthermore, the presence of ferromagnetic metals promotes the reduction of Fe ions located farther from dense ferrocyanide vacancy regions during proton intercalation, destabilizing the initial protonated configuration and lowering the reaction energy. Stability trends, assessed through Gibbs free energy changes for dissolution in acidic electrolytes, aligned with experimental capacity retention. Through this integrated study, Ni-TBA emerged as a promising candidate, combining high proton transport activity with superior stability, offering valuable guidance for the rational design of high-performance proton-ion battery materials for energy storage.
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