Deconstruction Analysis and Regeneration Optimization of Solid Electrolyte Components for Energy Storage Based on the Finite Data Statistics

Solid-state electrolytes have a superior theoretical energy density, higher safety, and longer cycle stability. However, researching solid-state electrolyte materials with high performance remains difficult. Machine learning methods can accurately predict performance, speed up the screening process, reduce expensive and time-consuming experimental trials, and have significant advantages in the optimization and fabrication of solid-state electrolyte materials. This research constructed a solid-state electrolyte database based on existing data, trained a random forest (RF) algorithm model to achieve performance prediction of Na superionic conductor (NASICON) solid-state electrolytes by using only the component information, and analyzed the effect of different components. The optimization results screened and provided the optimal ratio of 61 doping elements, and meanwhile verified the accuracy and optimization of the model prediction results. The effects of different components on the ionic conductivity of solid-state electrolytes, including the descriptors used and types of doping elements, were distinguished. This study provides a reference for the optimization direction of solid-state electrolyte materials and the selection of components, which contribute to the exploration and development of high-performance solid-state electrolyte materials.

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Publication Details

Journal
ACS Omega
Published
2026-01-07
DOI
https://doi.org/10.1021/acsomega.5c12921
Primary Topic
Machine Learning in Materials Science
Type
article
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article

Deconstruction Analysis and Regeneration Optimization of Solid Electrolyte Components for Energy Storage Based on the Finite Data Statistics

Junhong Hao, Ye Yang, Xiaoze Du, Yatong Zhen et al.
ACS Omega
Machine Learning in Materials Science
article

Deconstruction Analysis and Regeneration Optimization of Solid Electrolyte Components for Energy Storage Based on the Finite Data Statistics

Junhong Hao, Ye Yang, Xiaoze Du, Yatong Zhen, Boyuan Jian
article en

Abstract

Solid-state electrolytes have a superior theoretical energy density, higher safety, and longer cycle stability. However, researching solid-state electrolyte materials with high performance remains difficult. Machine learning methods can accurately predict performance, speed up the screening process, reduce expensive and time-consuming experimental trials, and have significant advantages in the optimization and fabrication of solid-state electrolyte materials. This research constructed a solid-state electrolyte database based on existing data, trained a random forest (RF) algorithm model to achieve performance prediction of Na superionic conductor (NASICON) solid-state electrolytes by using only the component information, and analyzed the effect of different components. The optimization results screened and provided the optimal ratio of 61 doping elements, and meanwhile verified the accuracy and optimization of the model prediction results. The effects of different components on the ionic conductivity of solid-state electrolytes, including the descriptors used and types of doping elements, were distinguished. This study provides a reference for the optimization direction of solid-state electrolyte materials and the selection of components, which contribute to the exploration and development of high-performance solid-state electrolyte materials.

ACS OmegaVol. 11(2)
North China Electric Power University (CN), Xiamen University (CN), Carbon Engineering (Canada) (CA), Ministry of Energy (IL), China Electric Power Research Institute, Lanzhou University (CN)
Affordable and clean energy
Openalex Percentile: Top 96%
Machine Learning in Materials Science
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Deconstruction Analysis and Regeneration Optimization of Solid Electrolyte Components for Energy Storage Based on the Finite Data Statistics — Junhong Hao, Ye Yang, et al. · ACS Omega (2026) | TGRS Research Map | TGRS