| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7766679 | Polyhedron | 2013 | 11 Pages |
Abstract
Mixed-valence (MV) manganese clusters have been calculated by UB3LYP to elucidate possible roles of substitutions of Mn(II) with Ca(II) in parent manganese oxides; for example hole-doping in Mott insulators for water oxidation. Electron-doping in Mott insulator for reduction reactions is also discussed.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
K. Yamaguchi, Y. Kitagawa, H. Isobe, M. Shoji, S. Yamanaka, M. Okumura,