Perovskite type SrCo0.9Ta0.1O3-δ (SCT91) cathode exhibits high activity for oxygen reduction reactions, but the instability in Cr-containing atmosphere restricts its application in intermediate temperature solid oxide fuel cells (IT-SOFCs). In this study, a B-site medium-entropy SrCo0.5Fe0.2Ti0.1Ta0.1Nb0.1O3-δ (SCFTTN52111) cathode is proposed and investigated as a potential Cr-tolerance cathode. The electrochemical activity of pristine SCT91 cathode degrades rapidly in the presence of volatile chromium species. In contrast, SCFTTN52111 performs very stable. Chromium vapors prefer to react with segregated SrO species rather than Co3O4 precipitates. Significant secondary phases of SrCrO4 and Co3O4 are detected on SCT91 electrode, while only trace by-products are found on medium-entropy cathode. The better Cr tolerance is closely related to the enhanced structural stability by medium-entropy engineering and reduced surface Sr segregations. This work sheds light on the development of robust cathodes for IT-SOFCs through rational design of configuration entropy. 相似文献
Density functional theory (DFT) calculations have been performed to evaluate the metal-support interactions between palladium atom and titanium nitride surface (Pd–TiN). N vacancy sites on defective TiN surface can stabilize Pd single atom under strongly oxidizing conditions, and surface defect-mediated stabilization is accompanied by obvious charge redistributions between Pd and substrate. The adsorption of several gas species on stable Pd–TiN surfaces is also explored to understand catalytic reactions. It is found that O, H, OH, O2, and CO favorably adsorb on Ti atop site, while CO2 and H2 prefer the hollow and Pd atop site, respectively. Moreover, co-adsorption with either H or OH weakens the CO-surface interactions, indicating the CO poisoning effect would be alleviated under both acidic and alkaline conditions. This study provides a perspective to understand the support effect of Pd–TiN, which sheds light on the design of high-performance Pd-based electrodes for proton exchange membrane fuel cells (PEMFCs). 相似文献