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- W2274592306 abstract "The formation of the electrostatic double layer arguably is the most basic phenomenon taking place at electrified interfaces. However, even in the relatively simple case of a Pt/water interface, none of the current theoretical approaches provides a realistic microscopic view of this double layer, accounting for electronic, polarization and solvent re-organization effects. Here we provide for the first time a comprehensive description of the electrostatic double layer of a Pt-water interface, based on ab-initio computations, including charge polarization effects at both sides of the interface, explicit solvent (water) and its rearrangements upon changing the electrode polarization." @default.
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- W2274592306 date "2014-03-06" @default.
- W2274592306 modified "2023-09-23" @default.
- W2274592306 title "The electrostatic double layer of Pt/water interfaces from first principles molecular dynamics" @default.
- W2274592306 hasPublicationYear "2014" @default.
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