INVESTIGADORES
QUAINO Paola Monica
artículos
Título:
The approach of alkali ions towards an electrode surface - A molecular dynamics study
Autor/es:
SCHMICKLER, WOLFGANG; BELLETTI, GUSTAVO; QUAINO, PAOLA
Revista:
CHEMICAL PHYSICS LETTERS
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2022 vol. 795
ISSN:
0009-2614
Resumen:
The approach of alkali ions from an aqueous solution towards a gold electrode has been studied by biasedmolecular dynamics. In accord with the Hofmeister series, Li+ and Na+ show signs of structure making, K+ andCs+ of structure breaking. For all ions the potential of mean force at first rises, when the ion approaches thesurface, passes through a maximum and then drops again to a local minimum. For the structure breaking ions Cs+and K + the solvation energies in the minima are the same as in the bulk, for Na+ and Li+ they are a little higher.
