Insights into ethanol electro-oxidation over solvated Pt(1 0 0): Origin of selectivity and kinetics revealed by DFT
The use of ethanol fuel in direct ethanol fuel cells has been hindered by the slow kinetics of anodic ethanol electro-oxidation reactions over Pt catalysts. We employ ab initio molecular dynamics simulations and thermodynamic integrations on the solvated Pt(1 0 0) model electrode surface with explic...
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| Main Authors: | , , , , |
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| Format: | Default Article |
| Published: |
2020
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| Subjects: | |
| Online Access: | https://hdl.handle.net/2134/12811724.v1 |
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