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Related Experiment Video

Updated: Jul 6, 2026

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity

Published on: January 15, 2014

Proton order in the ice crystal surface.

V Buch¹, H Groenzin, I Li

¹The Fritz Haber Institute for Molecular Dynamics, Hebrew University, Jerusalem 91904, Israel.

Proceedings of the National Academy of Sciences of the United States of America

|April 15, 2008

Summary

This study reveals the ice surface structure, finding a striped pattern of dangling atoms is energetically favored over disorder. This structure influences how molecules interact with ice, impacting atmospheric and planetary chemistry.

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Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures

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Published on: December 1, 2020

Area of Science:

Surface science
Computational chemistry
Physical chemistry

Background:

The atomic-level structure of pristine ice surfaces at low temperatures remains poorly understood.
Understanding ice surface physics is crucial for terrestrial and planetary chemistry, particularly regarding adsorbate interactions.

Purpose of the Study:

To investigate the atomic-level structure of dangling hydrogen (H) and oxygen (O) atoms at the basal ice surface.
To determine the preferred arrangement of these dangling atoms and their implications for adsorbate binding.

Main Methods:

Extensive computer simulations using two different empirical potentials.
Free energy calculations to compare different surface structures.

Main Results:

Simulations indicate a significant free energy preference for a striped phase with alternating rows of dangling H and dangling O atoms.
This striped phase model aligns with previously unexplained experimental helium diffraction data.
The striped model improves agreement with experimental ppp-polarized sum frequency generation spectra compared to a disordered model.

Conclusions:

The basal ice surface exhibits a striped phase of dangling atoms, not the expected disordered pattern.
This finding provides a more accurate model for ice surface structure and adsorbate interactions.
The striped phase has implications for understanding chemical processes on ice in various environments.