Ionic Bonding and Electron Transfer
Bonding in Metals
Electrolyte and Nonelectrolyte Solutions
Electrolytes: van't Hoff Factor
Electron Orbital Model
Metallic Solids
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Sarah B King1, Katharina Broch1, Angelika Demling1
1Department of Physical Chemistry, Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany.
We studied electronic states in dimethyl sulfoxide (DMSO) films on copper. A transient small polaron state forms and leads to long-lived states, potentially impacting battery reactivity.
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