Polaron states in theλ-MnO2unit cell. Notations “+3” and “+4” around Mn atoms indicate their valence states. Mn–O bond lengths (in Å) are presented around each bond. The electron is localized at the 3d-state of the Mn3+atom, as shown by a transparent blue isosurface. The gray and red spheres are Mn and O atoms, respectively.[119] |