Pure and doped crystalline polyethylene under Earth’s conditions: A density functional theory study

Polyethylene is a low-cost plastic widely used in daily applications, but its resistance to chemical processes contributes to prolonged degradation. The accumulation of plastic waste harms humans, animals, and the environment. In this study, we performed first-principles calculations based on Densit...

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Bibliographic Details
Main Authors: Andrew H. Zhang, Xuan Luo
Format: Article
Language:English
Published: AIP Publishing LLC 2025-04-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0259214
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