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Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001)

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Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP02097B, Paper
Sara Laporte, Fabio Finocchi, Lorenzo Paulatto, Marc Blanchard, Etienne Balan, Francois Guyot, Antonino Marco Saitta
We report a density-functional theory (DFT)-based study of the interface of bulk water with a prototypical oxide surface, MgO(001), and focus our study on the often-overlooked surface electric field.
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