A-site high-entropy additives for energy storage

Abstract

Entropy engineering has recently emerged as a promising strategy for enhancing the performance of energy-storage ceramics. In this work, four high-entropy compositions with equimolar ratios were designed, and their single-phase formation behavior was analyzed by combining formation-energy calculations with lattice-distortion evaluation. A potential quasi-linear high-entropy additive, (Na0.2La0.2Ba0.2Sr0.2Ca0.2)TiO3, was thereby identified. Experimental results reveal that this composition delivers a high recoverable energy-storage density (Wrec) of 3.83 J cm−3 and an ultrahigh efficiency (η) of 94.4% under an electric field of 430 kV cm−1, confirming its effectiveness as a high-entropy energy-storage modifier. This study integrates experimental characterization with computational analysis to preliminarily assess the phase stability of high-entropy perovskite ceramics, offering theoretical guidance for future material design and compositional optimization.