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Updated: Aug 17, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Quantum studies of hydrogen bonding in formic acid and water ice surface
1Physique des Interactions Ioniques et Moléculaires, Université de Provence and Centre National de la Recherche Scientifique (CNRS), Unité Mixte de Recherche N 6633, 13397 Marseille Cedex 20, France. alain.allouche@up.univ-mrs.fr
Abstract:
The structure and spectroscopy (electronic and vibrational) of formic acid (HCOOH) dimers and trimers are investigated by means of the hybrid (B3LYP) density-functional theory. Adsorption of single and dimer HCOOH on amorphous water ice surface is modeled using two different water clusters. Particular attention has been given to spectroscopic consequences. Several hypotheses on formic acid film growing on ice and incorporation of a single water molecule in the formic acid film are proposed.
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