Molecular and electronic structure in NaCl electrolytes of varying concentration: identification of spectral fingerprints.
Near edge x-ray absorption spectra at the Na K edge in aqueous NaCl electrolytes are presented as a function of concentration. The spectra are modeled by electronic structure calculations. We find and identify the orbital origin of two spectral fingerprints with sensitivity to the Na+-H2O distance and the Na+-Cl- distance in the electrolyte. Interionic interaction is found to be crucial for the description of the electrolytes at high concentrations.
BESSY mbH., Albert-Einstein-Strasse 15, 12489 Berlin, Germany. emad.aziz@bessy.de
Emad F
EF
Aziz
A
A
Zimina
M
M
Freiwald
S
S
Eisebitt
W
W
Eberhardt