Fig. 2.
Structure and energetics of aluminum compound clusters. (a) Al7C−-optimized geometry. (b) Energy gained by adding an Al atom to Aln-1C− species and HOMO–LUMO gap for the AlnC− clusters. (c) Electron charge density of the HOMO in Al7C− clusters. (d) Al7O−-optimized geometry. (e) Energy gained by adding an Al atom to Aln-1O− species and HOMO–LUMO gap for the AlnO− clusters. (f) Electron charge density of the HOMO in Al7O−.
