INVESTIGADORES
DEL POPOLO Mario Gabriel
artículos
Título:
Structure and dynamics of a confined ionic liquid. topics of relevance to dye-sensitized solar cells
Autor/es:
PINILLA C., DEL POPOLO M.G., LYNDEN-BELL R.M., KOHANOFF J.
Revista:
JOURNAL OF PHYSICAL CHEMISTRY B - (Print)
Editorial:
AMER CHEMICAL SOC
Referencias:
Año: 2005 vol. 109 p. 17922 - 17927
ISSN:
1520-6106
Resumen:
The
behavior of a model ionic liquid (IL) confined between two flat
parallel walls was studied at various interwall distances using computer
simulations. The results focus both on structural and dynamical
properties. Mass and charge density along the confinement axis reveal a
structure of layers parallel to the walls that leads to an oscillatory
profile in the electrostatic potential. Orientational correlation
functions indicate that cations at the interface orient tilted with
respect to the surface and that any other orientational order is lost
thereafter. The diffusion coefficients of the ions exhibit a maximum as a
function of the confinement distance, a behavior that results from a
combination of the structure of the liquid as a whole and a faster
molecular motion in the vicinity of the walls. We discuss the relevance
of the present results and elaborate on topics that need further
attention regarding the effects of ILs in the functioning of IL-based
dye-sensitized solar cells.