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Related Experiment Video

Updated: Jun 8, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

Structural inhomogeneity of water by complex network analysis.

Francesco Rao¹, Sean Garrett-Roe, Peter Hamm

¹Freiburg Institute for Advanced Studies (FRIAS), University of Freiburg, Freiburg, Germany. francesco.rao@frias.uni-freiburg.de

The Journal of Physical Chemistry. B

|September 23, 2010

Summary

Water exhibits complex substates at room temperature, revealing spatial correlations and distinct kinetic regions. These findings highlight water

Related Experiment Videos

Last Updated: Jun 8, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

Area of Science:

Physical Chemistry
Computational Biophysics
Soft Matter Physics

Background:

The structure-forming capabilities of water at ambient conditions remain a subject of scientific debate.
Understanding water's dynamic substates is crucial for various chemical and biological processes.

Purpose of the Study:

To investigate the presence of inhomogeneities and substates in bulk water using molecular dynamics simulations.
To structurally and quantitatively characterize these kinetically homogeneous substates.

Main Methods:

Application of complex network analysis methods to molecular dynamics simulation data of water at room temperature.
Analysis of the conformation-space network and free energy surface.

Main Results:

The conformation-space network of water is highly modular, indicating distinct structural arrangements.
Structural properties of water molecules exhibit spatial correlations extending over at least two solvation shells.
The free energy surface shows multiple metastable regions with varying populations and kinetic barriers (200-400 fs hopping time).

Conclusions:

Kinetically homogeneous substates exist in bulk water at ambient conditions.
Temperature scanning reveals that these substates can be stabilized by entropic or enthalpic factors.
Enthalpically stabilized substates exhibit ice-like domains extending over multiple solvation shells.