A-site high-entropy additives for energy storage

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 calculatio...

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Detalles Bibliográficos
Autores: Ochoa Guerrero, Diego A.|||0000-0002-8756-9704, Ning, Yating, Pu, Yongping, Shang, Jing, Sun, Zixiong
Tipo de recurso: artículo
Fecha de publicación:2025
País:España
Institución:Universitat Politècnica de Catalunya (UPC)
Repositorio:UPCommons. Portal del coneixement obert de la UPC
Idioma:inglés
OAI Identifier:oai:upcommons.upc.edu:2117/456973
Acceso en línea:https://hdl.handle.net/2117/456973
https://dx.doi.org/10.1063/5.0284543
Access Level:acceso abierto
Palabra clave:Entropy
Entropia
Àrees temàtiques de la UPC::Física::Termodinàmica
Descripción
Sumario: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 latticedistortion 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 cm3 and an ultrahigh efficiency (¿) 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.