fig4

Figure 4. (A-D) The RDF g(r) and the CN N(r) of Zn-O pairs. O atoms can be from SO₄^2-, EG, water, or all the possible O atoms in the system. The Zn²⁺ first coordination shell cut-off r_cut(Zn-O) is found to be 0.25 nm; (E) The g(r) and the N(r) of Zn-S pairs. S atoms are from SO₄^2-. The Zn²⁺ first coordination shell cut-off r_cut(Zn-S) is found to be 0.28 nm. [A(ii)-E(ii)] For the specific type of atoms (all possible O atoms, O_w, O_EG, O_SO4^2-, S_SO4^2-) around Zn²⁺, the first shell (i.e., the solvation shell) N(r) is determined. RDF: Radial distribution function; CN: coordination number; EG: ethylene glycol.