In this study, electronic structure, stability, and tendency to exchange electron of neutral, anionic, and cationic Rh x Cu 4-x (x = 0-4) small clusters were investigated by density functional theory calculations. For neutral small clusters, it was found that the most stable structures of Rh 4 , Rh 3 Cu and Rh 2 Cu 2 have distorted tetrahedral shape while the most stable structures of RhCu 3 and Cu 4 have quasiplaner shape. Adding charges to the clusters, caused shapes of the most stable structures undergo variations. Stabilities of the neutral, anionic, and cationic clusters decrease linearly with increasing the copper content. In addition, calculated chemical harnesses indicated that the small cluster with 75 % copper content has the least chemical hardness. Interestingly, prevailing number of electronegative (Rh) and electropositive (Cu) atoms in the anionic and cationic clusters coincides with high dipole moment in these species that occur at 25 and 75 % copper respectively.
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