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Structural Relaxation in Charged Metal Surfaces and Cluster Ions

Weigend, Florian ; Evers, Ferdinand ; Weissmüller, Jörg



Abstract

Space-charge layers can noticeably affect the properties of metal electrode surfaces, for instance by modifying the surface dielectric response or indirectly via the induced atomic relaxations. While there are efforts to exploit this concept for designing novel functional nanomaterials, the underlying microscopic processes are poorly understood. Here, we report on a density functional theory ...

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