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Updated: May 20, 2026
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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
A (31) P NMR investigation of the CoPi water-oxidation catalyst
Stephen J Harley1, Harris E Mason, J Gregory McAlpin
1Lawrence Livermore National Laboratory, 7000 East Avenue, Livermor, California 94550-9698, USA. harley2@llnl.gov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|July 19, 2012
Abstract:
Beneath the sheets: (31) P NMR data suggests that phosphates are liberated freely in the interlayer of a cobalt-hydroxide water-oxidation catalyst. The cobalt-hydroxide sheets are separated by an interlayer region with water, counterions and phosphate, which help to shuttle protons as the layer develops charge.
