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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Atomistic simulation of nafion membrane. 2. Dynamics of water molecules and hydronium ions

R Devanathan1, A Venkatnathan, M Dupuis

  • 1Fundamental Science Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USA. ram.devanathan@pnl.gov

The Journal of Physical Chemistry. B
|October 24, 2007
PubMed

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