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Updated: Apr 30, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Quantum simulation of collective proton tunneling in hexagonal ice crystals
Christof Drechsel-Grau1, Dominik Marx1
1Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Abstract:
The effect of proton tunneling on many-body correlated proton transfer in hexagonal ice is investigated by quantum simulation. Classical single-particle hopping along individual hydrogen bonds leads to charge defects at high temperature, whereas six protons in ringlike topologies can move concertedly as a delocalized quasiparticle via collective tunneling at low temperature, thus preventing the creation of high-energy topological defects. Our findings rationalize many-body quantum tunneling in hydrogen-bonded networks and suggest that this phenomenon might be more widespread than previously thought.
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