Theoretical study of the adsorption of DOPA-quinone and DOPA-quinone chlorides on Cu (1Â 0Â 0) surface

► We theoretically studied three adsorption modes for DOPA-quinone and DOPA-quinone-Cl on Cu (1 0 0) surface. ► Two molecules could absorb on the Cu (1 0 0) only via hydroxyl oxygen-side vertical adsorption mode. ► When DOPA-quinone modified by HOCl, the adsorption capacity weakened. So the anti-foul goal had been achieved.