Fundamental studies of ethanol oxidation reaction in direct ethanol fuel cells using density functional theory (DFT) calculations
In this thesis, first-principles calculations within the density functional theory (DFT) framework were utilized to investigate heterogeneous catalytic reactions in direct ethanol fuel cell. The ethanol electrooxidation on Pd and binary Pd systems are studied, concerning mainly on the activity and s...
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| Format: | Default Thesis |
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2021
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| Online Access: | https://dx.doi.org/10.26174/thesis.lboro.14984775.v1 |
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