BackgroundOxygen electrode materials with high electrocatalytic activity and thermochemical stability are crucial for achieving high-performance and durable reversible solid oxide cells (RSOCs). However, experimental data on perovskite oxide electrodes are often scattered across different studies, with heterogeneous characterization methods and insufficient integration of structure-property relationships, which limits mechanism interpretation and data-driven materials design.PurposeThis study aims to establish a unified and reusable dataset for Yb-doped CaMnO3-δ-based oxygen electrode materials by integrating multi-dimensional experimental data, thereby providing benchmark support for local structure analysis, defect chemistry investigation, performance correlation, and data-driven screening of RSOC oxygen electrodes.MethodsFirstly, perovskite-type Ca1-xYbxMnO3-δ (x=0, 0.15) samples were synthesized by the sol-gel method. Then, multi-source experimental data were systematically collected, including crystal structure, local coordination environment, oxygen defect characteristics, and electrochemical performance. The dataset was constructed based on X-ray diffraction (XRD), electron paramagnetic resonance (EPR), X-ray photoelectron spectroscopy (XPS), soft X-ray absorption spectroscopy (sXAS), extended X-ray absorption fine structure (EXAFS), wavelet transform analysis, and single-cell electrochemical testing. Finally, these data were organized within a structured framework to unify sample information, physicochemical descriptors, and performance metrics.ResultsThe finalized data results show that Yb doping preserves the orthorhombic perovskite structure of CaMnO3-δ and maintains good phase stability at elevated temperatures. Spectroscopic analyses indicate that Yb doping promotes oxygen vacancy formation and induces partial conversion of Mn4+ to Mn3+, thereby modifying the local electronic structure of the Mn-O framework. EXAFS and wavelet transform analyses further reveal that Yb doping not only alters the A-site chemical environment but also significantly affects the local coordination structure around Mn, exhibiting a cooperative local-structure regulation effect. Electrochemical measurement data show that the Yb0.15CMO oxygen electrode delivers a peak power density of 0.62 W·cm-2 in fuel cell mode at 700 °C and a current density of 0.47 A·cm-2 at 1.3 V in electrolysis mode, while maintaining good stability after 250 h of operation under constant-current conditions at 700 °C.ConclusionsThe standardized dataset established in this study integrates composition, crystal structure, valence-state distribution, local coordination features, oxygen defect chemistry, and RSOC electrochemical responses of CaMnO3-δ-based oxygen electrodes. It provides a useful data foundation for quantitatively correlating dopant regulation, local structural evolution, and electrochemical performance, and supports mechanism modeling, performance prediction, and the rational design of high-performance intermediate-temperature RSOC oxygen electrode materials.
YANG et al. (Wed,) studied this question.