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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.