Palladium-Functionalized Graphene for Hydrogen Sensing Performance: Theoretical Studies
The adsorption characteristics of H<sub>2</sub> molecules on the surface of Pd-doped and Pd-decorated graphene (G) have been investigated using density functional theory (DFT) calculations to explore the sensing capabilities of Pd-doped/decorated graphene. In this analysis, electrostatic...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-09-01
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| Series: | Energies |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1996-1073/14/18/5738 |