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Updated: Jun 24, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Probing the proton location in a water bilayer on Pd (111) by inelastic spectroscopy simulations
Marie-Laure Bocquet1, Nicolás Lorente
1Laboratoire de Chimie, UMR 5182, ENS Lyon, Lyon 69007, France. mbocquet@ens-lyon.fr
Abstract:
First-principles inelastic electron tunneling spectroscopy simulations give distinct signals for different phases of a water bilayer on a Pd (111) surface. Based on our recent electrochemical modeling of the water-Pd interface, we report on elastic and inelastic scanning tunneling microscopy simulations on two ice phases. Both phases exhibit only two tunneling-active optical phonons: the one corresponding to a stretching mode at higher frequency and the rocking/wagging one at lower frequency. However, the inelastic efficiencies at the phonon thresholds are very different between phases, enabling the discrimination of ice phases on metal surfaces.
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