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Updated: Feb 17, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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Cooperative Formation of Long-Range Ordering in Water Ad-layers on Fe3 O4 (111) Surfaces

Francesca Mirabella1, Eman Zaki1, Francisco Ivars-Barceló1

  • 1Fritz-Haber-Institute, Max Planck Society, Faradayweg 4-6, 14195, Berlin, Germany.

Angewandte Chemie (International Ed. in English)
|December 6, 2017
PubMed

Keywords:
density functional theoryiron oxidesmagnetitesurface structureswater adsorption

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