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Electrochemical adsorption of OH

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MD snapshot; the OH is at the left with a blue oxygen and a green hydrogen atom.
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Volumetric charge-density difference for OH adsorption on Pt(111); blue indicates electron depletion, red electron excess.
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Journal cover.

Work by Wolfgang Schmickler at the University of Ulm and coworkers to investigate the adsorption of the hydroxyl ion on a Pt(111) surface. The study used a combination of DFT with molecular dynamics, and the results suggest that OH can be adsorbed either as a metastable, physisorbed ion or as a chemisorbed radical.

Related publications

  • Electrochemical Adsorption of OH on Pt(111) in Alkaline Solutions: Combining DFT and Molecular Dynamics, L. M. C. Pinto, P. Quaino, M. D. Arce, E. Santos, and W. Schmickler, ChemPhysChem 15, 2003 (2014). doi:10.1002/cphc.201400051