Thermodynamically‐Driven Phase Engineering and Reconstruction Deduction of Medium‐Entropy Prussian Blue Analogue Nanocrystals DOI
Guangxun Zhang,

Wanchang Feng,

Guangyu Du

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 14, 2025

Abstract Prussian blue analogs (PBAs) are exemplary precursors for the synthesis of a diverse array derivatives.Yet, intricate mechanisms underlying phase transitions in these multifaceted frameworks remain formidable challenge. In this study, machine learning‐guided analysis medium‐entropy PBA system is delineated, utilizing an descriptors that encompass crystallographic phases, structural subtleties, and fluctuations multimetal valence states. By integrating multimodal simulations with experimental validation, thermodynamics‐driven transformation model established accurately predicted critical parameters. A constellation advanced techniques—including atomic force microscopy coupled Kelvin probe individual nanoparticles, X‐ray absorption spectroscopy, operando ultraviolet‐visible situ diffraction, theoretical calculations, multiphysics simulations—substantiated iron oxide@NiCoZnFe‐PBA exhibits both exceptional stability remarkable electrochemical activity. This investigation provides profound insights into transition dynamics polymetallic complexes propels rational design other thermally‐induced derivatives.

Language: Английский

Thermodynamically‐Driven Phase Engineering and Reconstruction Deduction of Medium‐Entropy Prussian Blue Analogue Nanocrystals DOI
Guangxun Zhang,

Wanchang Feng,

Guangyu Du

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 14, 2025

Abstract Prussian blue analogs (PBAs) are exemplary precursors for the synthesis of a diverse array derivatives.Yet, intricate mechanisms underlying phase transitions in these multifaceted frameworks remain formidable challenge. In this study, machine learning‐guided analysis medium‐entropy PBA system is delineated, utilizing an descriptors that encompass crystallographic phases, structural subtleties, and fluctuations multimetal valence states. By integrating multimodal simulations with experimental validation, thermodynamics‐driven transformation model established accurately predicted critical parameters. A constellation advanced techniques—including atomic force microscopy coupled Kelvin probe individual nanoparticles, X‐ray absorption spectroscopy, operando ultraviolet‐visible situ diffraction, theoretical calculations, multiphysics simulations—substantiated iron oxide@NiCoZnFe‐PBA exhibits both exceptional stability remarkable electrochemical activity. This investigation provides profound insights into transition dynamics polymetallic complexes propels rational design other thermally‐induced derivatives.

Language: Английский

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