A Theoretical Study on the Influence of the Functional Group Electronic Effect on the Electron Mobility of Cross-Linked Polyethylene
The effect of electron-donating and electron-withdrawing groups grafted onto polyethylene on electron mobility was studied using density functional theory. In order to ensure the accuracy of the calculation results, 17 basis sets from six methods were screened. 3-methylpentane was selected as the cr...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-01-01
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| Series: | Applied Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2076-3417/15/2/959 |
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