Herein we thoroughly investigate the CO molecule adsorption and breakage processes on TM surfaces to unfold the most prominent trends, driving forces, and chemical descriptors in a broad, general fashion. To this end, the CO adsorption is systematically studied by DFT means on all 3d, 4d, and 5d TMs displaying regular face-centred cubic (fcc), body-centred cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures, accounting for 27 different TMs. The three lowest-index Miller surfaces from each TM are analyzed, accounting in all cases for the most stable regular surfaces , i.e. without featuring step edges. These are (001), (011), and (111) surfaces for both fcc and bcc TMs, and (0001), (101 ̅ 0), and (112 ̅ 0) surfaces for hcp TMs, see Fig. , making up 81 studied TM surfaces.