Structure, magnetism, and dissociation energy of small bimetallic cobalt-chromium oxide cluster cations: A density-functional-theory study

Influence of oxidation on the magnetism of small Co oxide clusters probed by Stern–Gerlach deflection

“…Similar conclusions could also be drawn for small Co oxide cations Co n O m + ( n = 2, 3 and 1 ≤ m ≤ 4) that were studied in ref. 54. The DFT calculations in that work also revealed an increase in the total spin magnetic moment of the Co oxide clusters as the oxygen content grows, due to an increasing number of unpaired electrons in the 3d4s shell of the cobalt atoms accompanied with the donation of electrons to atomic oxygen bonds by a cobalt atom.…”