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Unique Reactivity of Transition Metal Atoms Embedded in Graphene to CO, NO, O(2) and O Adsorption: A First-Principles Investigation
Taking the adsorption of CO, NO, O(2) and O as probes, we investigated the electronic structure of transition metal atoms (TM, TM = Fe, Co, Ni, Cu and Zn) embedded in graphene by first-principles-based calculations. We showed that these TM atoms can be effectively stabilized on monovacancy defects o...
Gespeichert in:
| Veröffentlicht in: | Molecules |
|---|---|
| Hauptverfasser: | , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
MDPI
2015
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6332463/ https://ncbi.nlm.nih.gov/pubmed/26516830 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules201019540 |
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