Fig. 4
From: Anion-Regulated Synthesis of ZnO 1D Necklace-Like Nanostructures with High Photocatalytic Activity
Side view of the optimized structures of anions adsorbed on a (001) facet and b (101) facet. c Top view of the optimized structures of anions adsorbed on (001) facet and (101) facet. The diagram illustrates the calculated ΔE before and after anion binding. Anions from top to down: acetate ion (CH3COO−), nitrate ion (NO3−), chloride ion (Cl−), and sulfate ion (SO42−). Blue gray, Zn; Red, O; Gray, C; White, H; Blue, N; Green, Cl; Yellow, S atom