Cover Picture: Electrochemical Adsorption of OH on Pt(111) in Alkaline Solutions: Combining DFT and Molecular Dynamics (ChemPhysChem 10/2014) | Zendy

Pinto Leandro M. C. | Zendy; Quaino Paola | Zendy; Arce Mauricio D. | Zendy; Santos Elizabeth | Zendy; Schmickler Wolfgang | Zendy

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Cover Picture: Electrochemical Adsorption of OH on Pt(111) in Alkaline Solutions: Combining DFT and Molecular Dynamics (ChemPhysChem 10/2014)

Author(s) -

Pinto Leandro M. C.,

Quaino Paola,

Arce Mauricio D.,

Santos Elizabeth,

Schmickler Wolfgang

Publication year - 2014

Publication title -

chemphyschem

Language(s) - English

Resource type - Reports

SCImago Journal Rank - 1.016

H-Index - 140

eISSN - 1439-7641

pISSN - 1439-4235

DOI - 10.1002/cphc.201490045

Subject(s) - adsorption , chemistry , aqueous solution , molecular dynamics , electrochemistry , hydrogen atom , inorganic chemistry , photochemistry , computational chemistry , electrode , organic chemistry , alkyl

The picture shows a snapshot from a molecular dynamics simulation, presented on p. 2003 by W. Schmickler et al. for OH adsorbed on Pt(111) from an aqueous solution. The OH can be seen on the left with a red oxygen and a green hydrogen atom. Superimposed is a free energy surface for the reaction showing the adsorbed OH on the left, a chemisorbed OH − in the center, and a solvated OH − at the right.

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