Novel insight into the competitive adsorption behaviors of As(V), Sb(V), and P(V) on {1 1 0} facets of Goethite: Existing form and coordination structure affinity

•DFT calculation fully supported the results predicted by CD-MUSIC model.•As(V) and Sb(V) exhibited a stronger affinity for bidentate coordination.•P(V) exhibited a stronger affinity for monodentate coordination.•The adsorption competitiveness of As(V) and P(V) was generally stronger than Sb(V).•Ion existing form and coordination structure affinity decided adsorption behavior.