Fig. 5: Direct pathway via OH* and indirect pathway via SO4*.

a Structure of OH* adsorbed on Cu atom and O atom on Cu2(OH)2CO3 before structure relaxation. b Structure of OH* adsorbed on Cu atom and O atom on Cu2(OH)2CO3 after structure relaxation. c Structure of SO4* adsorbed on Cu2(OH)2CO3 before structure relaxation. d Structure of SO4* adsorbed on Cu2(OH)2CO3 after structure relaxation.