Fig. 4
DFT-calculated charge density differences of (a) Zn(001) and (b) Zn(001)/ZnO(100) surfaces for Zn2+ adsorption. Remarks: Zn (blue), O (pick), and Zn2+ (red). Yellow and cyan regions represent the increased and decreased electron density (isosurface value: 0.0003 electron Bohr-3). c Calculated absorption energy of Zn2+ on Zn(001) and Zn(001)/ZnO(100) surfaces. d Calculated hydrogen adsorption free energy on Zn(001) and Zn(001)/ZnO(100) surfaces. e Density of states (DOS) of Zn(001) and Zn(001)/ZnO(100) surfaces. f The activation energy for Zn2+ to migrate from one energy minima to another nearby minimum on Zn(001) and Zn(001)/ZnO(100) surfaces. Numerical simulations of (g) dendrite growth and (h) electric field during the Zn plating process before and after 30 s