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Updated: Apr 15, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Base-enhanced catalytic water oxidation by a carboxylate-bipyridine Ru(II) complex

Na Song1, Javier J Concepcion1, Robert A Binstead1

  • 1Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599-3290.

Proceedings of the National Academy of Sciences of the United States of America
|April 8, 2015
PubMed

Keywords:
Ru polypyridyl complexeselectrocatalysissolar energywater oxidation catalysiswater splitting

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