Ion adsorption at a metallic electrode: an ab initio based simulation study.
A method for parametrizing, from first principles density functional theory calculations, a model of the interactions between the ions in an ionic liquid and a metallic (electrode) surface is described. The interaction model includes the induction of dipoles on the ions of the liquid by their mutual...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2009
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