Design of High Entropy Perovskites Oxides for Solid Oxide Fuel Cell Applications

<b>Abstract:</b> Perovskite oxides of a general formula of ABO₃ with rare earth element La at A-site and Mn, Co, and Fe at B site have received significant attention for low-cost electrode materials in energy storage devices [1]. The introduction of different cations through partial substitution at the A and B sites has provided a way to further augment and tailor the properties of perovskite oxides for a variety of applications [2]. However, the slow kinetics of oxygen reduction reaction, high overpotential, and surface instability remain a barrier, creating a demand of high-performance materials for energy storage devices. High entropy perovskite oxides could be potential candidates for high-performance oxygen electrode catalysts [3]. These materials, exhibiting synthesizability as single-phase entities with specific configurations, have attracted attention. While numerous descriptors have been proposed to predict the synthesizability of high entropy perovskite oxides, none, to the best of our knowledge, have successfully predicted a broad range of configurations. In this study, we conducted a comprehensive screening of reported high entropy perovskite oxide configurations from various experimental studies. Building upon the insights gained from the analysis of already synthesized perovskite oxide configurations, we propose a novel configuration, namely La_0.2Pr_0.2Gd_0.2Sr_0.2Ca _0.2MnO₃(LPGSC), as a high entropy perovskite oxide. Theoretical and experimental investigations of the LPGSC configuration reveal significantly enhanced properties, particularly in terms of improved surface stability.<br/><b>References:</b><br/>1. Journal of Power Sources 574 (2023) 233166.<br/>2. Physical Chemistry Chemical Physics 25 (2023) 22022-22031.<br/>3. Journal of Materials Chemistry A 7 (2019) 22148-22162.