Hydrogen adsorption on the A and B termination layers of the Fe3O4(1 1 0) surface at different coverage has been systematically studied by density functional theory calculations including an on-site Hubbard term (GGA + U). The adsorption of hydrogen prefers surface oxygen atoms on both layers. The more stable A layer has stronger adsorption energy than the less stable B layer. The saturation coverage has two dissociatively adsorbed H-2 on the A layer, and one dissociatively adsorbed H-2 on the B layer. The adsorption mechanism has been analyzed on the basis of projected density of states (PDOS). (C) 2015 Elsevier B.V. All rights reserved.