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DFT Study on Intermetallic Pd–Cu Alloy with Cover Layer Pd as Efficient Catalyst for Oxygen Reduction Reaction
Detailed density functional theory (DFT) calculations of the adsorption energies (E(ad)) for oxygen on monolayer Pd on top of the Pd–Cu face-centered cubic (FCC) alloy and intermetallic B2 structure revealed a linear correspondence between the adsorption energies and the d-band center position. The...
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| Publié dans: | Materials (Basel) |
|---|---|
| Auteurs principaux: | , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
MDPI
2017
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5793531/ https://ncbi.nlm.nih.gov/pubmed/29278392 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma11010033 |
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