Fig. 4: Proposed adsorption model and the electrostatic potential energy of layered MoS2.

a Explicit model of hydronium atoms and hydroxide ions in acidic and alkaline media on the layered MoS2 surface in first-principles calculations. Molecular models were produced by VESTA47. b The mean normalized electrostatic potential energy and its electrostatic potential energy difference at the MoS2-electrolyte (0.3 mM KCl, orange bar; 3 mM KCl, purple bar) interface as the pH changes. Source data are provided as a Source Data file.