Charge Skin Behavior of Gold Superatoms

In this work, we investigate the relationship between the charge distribution and electron occupation by exploring neutral gold superatoms Au, and their anion structures [Au-n](-) (n = 13, 55, and 147). It is shown that there exists skin behavior of charge distribution for gold superatoms. For the neutral Au-n, there are negative charges of -0.1 e, -0.54 e, and -1.16 e distributed in the surface area of 1D(5) SAMOs of Au-13, 1F(12) 1G(15) SAMOs of Au-55, and 2D(6) 1H(22) 2F(14) 1I(6) 3S(2) 1J(6) 1I(8) 1J(4) 3P(1) SAMOs of Au-147, respectively. For the anion [Au-n](-), more negative charges of -1.08 e, -1.55 e, and -2.14 e are distributed in the surface area of 1D SAMO of [Au-13](-), 1G SAMO of [Au-55](-), and 3P SAMO of [Au-147](-). In addition, adding an electron will cause the SAMOs rearrangement and enhance the geometric symmetry of superatoms, especially in [Au-13](-) and [Au-55](-). Our findings provide a new perspective on microelectronic structure in understanding the skin effects.

Automated summary

By investigating the charge distribution and electron occupation in neutral gold superatoms and their anion structures, it was found that there exists skin behavior of charge distribution for gold superatoms. Adding an electron causes SAMOs rearrangement and enhances the geometric symmetry of superatoms, particularly in [Au-13](-) and [Au-55](-). These findings provide a new perspective on microelectronic structure and the skin effects.