Ion-size effect within the aqueous solution interface at the Pt(111) surface: molecular dynamics studies.


All-atom classical force-field based molecular dynamics simulations have been employed to investigate the structure and dynamics of interfacial water in systems of pure water, 1 M LiOH and 1 M KOH aqueous solutions at an uncharged Pt(111) surface. Results indicate that the ordering of water molecules is affected as far as 9 Å from the Pt surface… (More)
DOI: 10.1039/c004435k


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