The ZnOcore-ZnSshell like nanoparticles have been prepared in ethanol by the hydrothermal method using different sulfur loading. These kind of nanomaterials were characterized by X-ray diffraction, Scanning and Transmission Electron Microscopy, Photoluminescence, and the surface area was determined by BET method. Photocatalytic H-2 production from ethanol in aqueous solution has been studied at ambient temperature under UV irradiation and molecular simulation was also included. The optimum ZnS contents for H-2 production, from ethanol aqueous solution, on the ZnOcore-ZnSshell like nanoparticles were 50 mol% of S loading on ZnO-1D. The H-2 yield was about 1200-1500 mu mol/hg obtained under prolonged time irradiation. Experimental results showed that the photocatalytic H-2 production could be enhanced remarkably by depositing a suitable amount of ZnS on ZnO-1D surface. Based on our simulation results, we suggest that the water and ethanol were adsorbed preferentially on the surface of sphalerite than on the wurtzite structure and H-2 is released from the sphalerite structure. (C) 2019 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.