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Papel de los elementos de sustitución en la mejora de la estabilidad estructural de los cátodos en capas ricos en
Baodan Zhang1,2, Yiming Zhang1, Xiaotong Wang1
1State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, PR China.
Journal of the American Chemical Society
|April 7, 2023
Resumen
La sustitución de elementos en cátodos en capas es clave para la estabilidad. Este estudio revela que el "grado de desorden" (mezcla de Li/Ni) se correlaciona fuertemente con el rendimiento estructural y electroquímico, orientando el diseño futuro del material.
Área de la Ciencia:
- Ciencias de los materiales
- La electroquímica
- Química del estado sólido
Sus antecedentes:
- El dopaje/sustitución de elementos mejora la estabilidad estructural del cátodo en capas.
- Los estudios actuales carecen de una identificación clara del sitio y se basan en la teoría covalente TM-O poco convincente, lo que lleva a desafíos de diseño.
Objetivo del estudio:
- Para investigar la correlación entre el
- grado de desorden
- (mezcla de Li/Ni) y la estabilidad de la estructura de la interfaz en cátodos en capas.
- Establecer un nuevo paradigma para la sustitución de elementos guía en materiales de cátodo.
Principales métodos:
- Utilizó Li1.2Ni0.2Mn0.6O2 como un material de prototipo.
- Caracterización sistemática y análisis para correlacionar
- grado de desorden
- con métricas de estabilidad.
- Efectos investigados de la sustitución de Mg/Ti en el entorno TM-O, la estabilidad de la celosía y la difusión de Li.
Principales resultados:
- Reveló una intensa correlación entre
- grado de desorden
- y la estabilidad de la estructura de la interfaz.
- La sustitución de Mg/Ti indujo efectos opuestos en el
- grado de desorden
- , lo que lleva a una estabilidad TM-O distinta, difusión de Li+ y reversibilidad de anión redox.
- Demostró un rendimiento electroquímico significativamente diferente basado en el trastorno inducido por la sustitución.
Conclusiones:
- El
- grado de desorden
- es un poderoso indicador de la modificación del material a través de la sustitución de elementos/dopaje.
- Estableció un nuevo paradigma para el diseño racional de materiales catódicos en capas.
- Proporciona información sobre la optimización de las propiedades estructurales y electroquímicas a través de la mezcla controlada de cationes.
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