Mechanism of Oxalic Acid Formation from Acetylene on Pt (111) Surface: A DFT Investigation
The mechanism of electrochemical synthesis of oxalic acid from acetylene on Pt (111) surface has been comprehensively investigated using first-principles method based on density functional theory (DFT). The calculation results show that CHCH firstly react with OH to form CHCHOH, then, the product ta...
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| Auteurs principaux: | , , , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Elsevier
2019-01-01
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| Collection: | International Journal of Electrochemical Science |
| Sujets: | |
| Accès en ligne: | http://www.sciencedirect.com/science/article/pii/S1452398123009033 |
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