Advanced Materials · 2025 · 14 citations · 72 references
Protonic ceramic fuel cells (PCFCs) offer a promising avenue for sustainable energy conversion, however, their commercial potential is hindered by sluggish proton-involved oxygen reduction reaction (P-ORR) kinetics and inadequate durability of cathode materials. Here, a novel single-atom Ru anchor on BaCe<sub>0.125</sub>Fe<sub>0.875</sub>O<sub>3-δ</sub> (BCF) perovskite, synthesized by a facile and scalable solid-state approach, as a potential cathode for PCFCs is reported. Theoretical and experimental analyses demonstrate that the single-atom Ru on BCF, characterized by a unique 4-coordinate Ru-O-Fe configuration, not only induces reverse hydrogen spillover but also acts as an active site for P-ORR. The application of the optimized 2Ru-BCF (2 wt.% Ru) cathode in a single cell delivers an exceptional peak power density of 1.78 W cm<sup>-2</sup> at 700 °C, along with excellent operational stability over 200 h. These findings provide new insights into single-atom engineering, advancing the commercial viability of PCFCs.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations