Annotation
Novel redox mediators are necessary in order to increase the efficiency and lifetime of dye-sensitized solar cells. In this work, complex copper and cobalt ions with phenanthroline and bipyridine ligands are studied in the quantum chemical aspect. New complexes with cyano bipyridine derivatives are studied. The redox potentials of the complexes and inner sphere reorganization energies are calculated.
Received: 2012 June 29
Approved: 2014 February 26
PACS:
82.45.Gj Electrolytes
31.15.Ew Density-functional theory
31.15.Ew Density-functional theory
© 2016 Publisher M.V.Lomonosov Moscow State University
Authors
M.S. Nechaev$^1$, D.Yu. Paraschuk$^2$
$^1$Faculty of Chemistry, Moscow State University, Moscow, 119991, Russia
$^2$International Laser Center, Faculty of Physics, Moscow State University, Moscow, 119991, Russia
$^1$Faculty of Chemistry, Moscow State University, Moscow, 119991, Russia
$^2$International Laser Center, Faculty of Physics, Moscow State University, Moscow, 119991, Russia