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Zhi-Guo Yan

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Oct 2026

Molecular Dynamics Simulation of Thermodynamic Properties of Functionalized Carbon Nanotubes Filled Polyimide Composites

As lithium battery technologies advance, superior polyimide-based materials are urgently required. However, the microscopic mechanism by which CNT surface chemistry governs polyimide (PI) enhancement remains a challenge. This study employs molecular dynamics simulations to investigate how functionalizing carbon nanot...

Jiang-Ying Zou, Xian Guo, Yu Qian et al. · 0 citations

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