The transition behavior of FePc on Ag(110) has been investigated by room temperature scanning tunneling microscopy (STM) and density functional theory (DFT) simulation. After FePc molecules deposited on Ag(110) surface, two adsorption structures were observed. The pathway between these different configurations was investigated by DFT simulation. The transition of electronic structures of FePc/Ag(110) interface and change in work function during the transformation were investigated by the calculated density of states (DOS) together with the application of induced density of interface states (IDIS). (C) 2013 Elsevier B.V. All rights reserved.