Ab-Initio Investigations on Hydrogen Dissociation and Cross-Linking of Hydrocarbon Chains of Self-Assembled Monolayers of Alkanes
First-principles calculations were carried out to study the structural and electronic properties of hydrocarbon chains of self-assembled monolayers with hydrogen dissociation. It was found that the incoming hydrogen could lead to the formation of H<sub>2</sub> molecules by stripping the...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-06-01
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| Series: | Applied Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2076-3417/12/12/6020 |