Electronic properties of mixed lithium-oxygen clusters

Herein electronic structure as a function of cluster size has been probed through ionization potentials measurements in order to derive general trends in the evolution of the structure and stability of lithium oxide clusters LinOm. The structural evolution was investigated by varying progressively the oxygen rate in order to observe transitions from the metallic Li-n to the ionic structure (Li2O)(n). We have demonstrated that this structural transition splits into three specific ranges. This result, in contrast with the general behavior observed with other electronegative elements combined with alkaline or alkaline-earth metal clusters, but similar to what is known about BanOm and CsnOm, constitutes a signature of a specific role played by the oxygen atoms when included inside a metallic cluster.