Digital‐Twin‐Assisted Insights Into Irreversible Capacity and Activation Strategy Power High‐Loading Solid‐State Batteries

Y Yecai Sun (State Key Laboratory of Space Power‐Sources School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin 150001 China) Y Yanbin Ning (State Key Laboratory of Space Power‐Sources, School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin China) Z Zhuomin Qiang (State Key Laboratory of Space Power‐Sources School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin 150001 China) L Lizhi Xiang Q Qingsong Liu (MOE Engineering Research Center for Electrochemical Energy Storage and Carbon Neutrality in Cold Regions) C Chaoqun Zhang (Department of Chemistry, Johns Hopkins University, Baltimore, MD, USA.) G Guoce Quan (State Key Laboratory of Space Power‐Sources School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin 150001 China) Y Yan Zhang B Biao Deng (Shanghai Institute of Applied Physics, Chinese Academy of Sciences, 239 Zhangheng Road, Shanghai 201204, China) G Geping Yin (School of Chemistry and Chemical Engineering) T Tiefeng Liu (College of Chemical and Biological Engineering) J Jiajun Wang (Institute of Molecular Plus, Department of Chemistry, School of Science) S Shuaifeng Lou (MOE Engineering Research Center for Electrochemical Energy Storage and Carbon Neutrality in Cold Regions)

Abstract

Abstract In solid‐state lithium‐ion batteries, the fraction of active materials involved in electrode electrochemistry reduces with the increase of electrode thickness. Conventional wisdom suggests that the degree of reaction linearly decreases toward the current collector as in lithium‐ion batteries, which is, however, limited by the high difficulty of experimental capture of operando charge and mass transport. Electrode dynamics simulations can provide space visualization but are usually based on simplified models. Herein, we build digital‐twin electrodes with digital‐space voxel microstructure based on synchrotron tomography, which transforms the electrode architecture from real space to digital space for the construction of precision models. From the digital model‐driven simulation, we find an “lithium trapping” effect, stemming from susceptible lithium stuck in the solid electrolyte, triggers an inadequate reaction of the intermediate region of electrodes. Then, we construct locally accelerated ion paths activating the lithium trapping, indicating that this strategy can significantly guide the sustainable battery design for next‐generation energy storage.

Article Details

Volume / Issue Vol. 64, Issue 36
Published September 01, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (13)

Y

Yecai Sun

State Key Laboratory of Space Power‐Sources School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin 150001 China

Y

Yanbin Ning

State Key Laboratory of Space Power‐Sources, School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin China

Z

Zhuomin Qiang

State Key Laboratory of Space Power‐Sources School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin 150001 China

L

Lizhi Xiang

Q

Qingsong Liu

MOE Engineering Research Center for Electrochemical Energy Storage and Carbon Neutrality in Cold Regions

C

Chaoqun Zhang

Department of Chemistry, Johns Hopkins University, Baltimore, MD, USA.

G

Guoce Quan

State Key Laboratory of Space Power‐Sources School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin 150001 China

Y

Yan Zhang

B

Biao Deng

Shanghai Institute of Applied Physics, Chinese Academy of Sciences, 239 Zhangheng Road, Shanghai 201204, China

G

Geping Yin

School of Chemistry and Chemical Engineering

T

Tiefeng Liu

College of Chemical and Biological Engineering

J

Jiajun Wang

Institute of Molecular Plus, Department of Chemistry, School of Science

S

Shuaifeng Lou

MOE Engineering Research Center for Electrochemical Energy Storage and Carbon Neutrality in Cold Regions