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Ensamblaje guiado de aprendizaje automático de un grupo anidado Gd₂₀ @Gd₃₂ @Ni₃₆ a través de liberación controlada de

Ming-Qiang Qi¹, Rui-Le Yang¹, Jing-Zhou Wu¹

¹Collaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory of Physical Chemistry of Solid Surfaces and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, China.

Angewandte Chemie (International ed. in English)

|September 2, 2025

Resumen

Los investigadores sintetizaron un complejo grupo de lantánidos anidados utilizando urea como fuente de carbonato. El aprendizaje automático aceleró el descubrimiento de esta nueva arquitectura Gd52Ni36, mostrando estrategias de síntesis basadas en datos.

Área de la Ciencia:

Química inorgánica
Ciencias de los materiales
Nanotecnología

Sus antecedentes:

Los grupos poliédricos basados en lantánidos exhiben geometrías y propiedades únicas.
La síntesis controlada de estas estructuras complejas presenta desafíos significativos.

Objetivo del estudio:

Para reportar la síntesis controlada de un nuevo grupo de lantánidos anidados de tres capas.
Explorar estrategias basadas en datos para acelerar el descubrimiento de arquitecturas lantánidas complejas.

Principales métodos:

Utilizó urea como fuente de carbonato de liberación lenta para moldear el caparazón interior.
Se empleó la difracción de rayos X monocristalino para determinar la estructura del cúmulo (Gd20@Gd32@Ni36).
Implementó una plataforma de síntesis de alto rendimiento guiada por aprendizaje automático para explorar las condiciones de reacción.

Principales resultados:

Se ha sintetizado con éxito un grupo anidado de tres capas: [Gd52Ni36(MeIDA) 36(OH) 114 ((CO3) 12) ((H2O) 48).
Reveló un arreglo Gd20@Gd32@Ni36 con un núcleo interno Gd20 en forma de dodecaedro platónico templado por carbonato.
Parámetros clave identificados y límites de fase que rigen la formación de cúmulos a través de 780 condiciones exploradas.

Conclusiones:

Demostró la eficacia de la urea como agente de plantilla para las conchas dodecaédricas en racimos de lantánidos.
Valida el poder del aprendizaje automático y la síntesis de alto rendimiento para acelerar el descubrimiento de materiales inorgánicos complejos.
Abrió nuevas vías para diseñar y sintetizar intrincadas arquitecturas basadas en lantánidos.

Palabras clave:

Síntesis automática Modelado en carbonato Agrupaciones de lantánidos Aprendizaje automático Los poliedros platónicos

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