The environmental fate of tungsten (W) has received particular attention due to its increasing utilization and potential health hazards. Adsorption on minerals is considered as a major factor in governing tungsten's mobility and bioavailability. Goethite, a highly stable iron oxide in soils and sediments, is pivotal in determining tungsten's environmental behavior. In this study, the sorption mechanisms of tungsten on the primary (110) surface of goethite were investigated by using systematic first-principles molecular dynamics (FPMD) simulations. First, we computed the bidentate corner-sharing complexation structures of tungsten in all protonation states (i.e., WO