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Computational Screening Guiding the Development of a Covalent-Organic Framework-Based Gas Sensor for Early Detection of Lithium-Ion Battery Electrolyte Leakage.

Liangdan Zhao, Chunyi Yu,Xiaoyu Wu,Mingrui Zuo,Qian Zhang, Qiuchen Dong,Lifeng Ding

ACS APPLIED MATERIALS & INTERFACES(2025)

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关键词
covalent-organic framework (COF),ethylenecarbonate,GCMC simulation,lithium-ion battery,chemiresistivegas sensor,DFT calculation
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