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First Principles Study on the CO Oxidation on Mn-Embedded Divacancy Graphene
The CO oxidation mechanism on graphene with divacancy (DG) embedded with transition metal from Sc to Zn has been studied by using first principles calculations. The results indicate that O(2) molecule is preferentially adsorbed on Sc, Ti, V, Cr, Mn, and Fe-DG, which can avoid the CO poisoning proble...
שמור ב:
| הוצא לאור ב: | Front Chem |
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| Main Authors: | , , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
Frontiers Media S.A.
2018
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5992397/ https://ncbi.nlm.nih.gov/pubmed/29911100 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2018.00187 |
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