Multifaceted-optimization on PtFeCoNiMnX high entropy alloy confined in macroporous carbon fibers towards superior...

High entropy alloy (HEA) materials are considered to be a superior flatform for multifunctional catalysts in diverse applications. Herein, the multifaceted-optimizations, including data-driving, theoretical calculations, and configuration design, are carried out on the PtFeCoNiMnX HEA towards superior behaviors in oxygen catalysis. Through theoretical calculation and data-guided analysis, the Ga element is chosen as the best candidate of X in PtFeCoNiMnX HEA. In addition, the PtFeCoNiMnGa HEA nanoparticles are anchored on the porous carbon nanofibers (MPCN) to realize its catalytic performance. A series of PtFeCoNiMnGa HEA@MPCN samples with different Ga atomic ratios are prepared and obtain the good catalytic performance for oxygen reduction (ORR) and evolution (OER) reactions. In particularly, the Pt₁₄Fe₁₅Co₁₈Ni₁₅Mn₁₉Ga₁₉ HEA@PCN sample delivers the lowest voltage gap and the smallest energy barrier, which reveal its best catalytic performance among the PtFeCoNiMnGa HEA@MPCN samples. Integrated with the Pt₁₄Fe₁₅Co₁₈Ni₁₅Mn₁₉Ga₁₉ HEA@MPCN cathode, the full ZAB battery delivers the high power density of 243.9 W kg^-1 and long cycling life over 350 h. Moreover, the solid-state ZAB (SZAB) with Pt₁₄Fe₁₅Co₁₈Ni₁₅Mn₁₉Ga₁₉ HEA@MPCN nanofiber cathode shows the good flexibility, high reliability and stability for diverse working conditions and in a wide temperature range. Therefore, this work not only introduces a multifaceted-optimization on the design of high-entropy alloy catalysts for oxygen reactions, but also promotes the fast development of highly efficient ZAB for diverse electronics.