“…Previous studies have looked at many different aspects of lithium clusters: the structure of Li n , [3][4][5][6] their optical absorption spectra, [7][8][9][10] the ionization energies (IEs) and electron affinities (EAs) of Li n (n = 2, 4, 6, 8). [11][12][13] In addition, lithium has the ability to form heterogeneous clusters with various elements, for example: Li n B, [14] Li n Be, [15] Li n Mg, [15] Li n Sn, [16] Li n O, [17,18] Li n C, [19,20] etc. The first experimental evidence of nonmetal doped lithium clusters was the discovery of Li n O (n = 3, 4, 5) clusters by Wu et al [21,22] The first theoretical work on the existence of Li n O clusters was reported by Schleyer et al, where these kinds of clusters were named hyperlithiated clusters (or molecules).…”