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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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Ionic hydrogen bonds controlling two-dimensional supramolecular systems at a metal surface.

Dietmar Payer1, Alessio Comisso, Alexandre Dmitriev

  • 1Max Planck Institut für Festkörperforschung, Heisenbergstrasse 1, 70563 Stuttgart, Germany.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|February 10, 2007
PubMed
Summary

Ionic adsorbates like trimesic acid (TMA) on silver surfaces form distinct structures via hydrogen bonds. At higher temperatures, deprotonation leads to stronger ionic hydrogen bonds, creating new 2D supramolecular arrangements.

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