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. 2021 Sep 24;12:5635. doi: 10.1038/s41467-021-25932-6

Fig. 3. Real-space pseudopotential DFT calculations for the breaking of the dative bond in CO-FePc with a Cu tip.

Fig. 3

a Schematic showing the interaction of the Cu tip with the CO-FePc complex on Cu(111) (Cu: yellow; C: black; O: red; Fe: brown). The red arrow indicates the attractive force acting on the tip apex. b The red curve shows the calculated attractive vertical force on the Cu apex while the blue curve shows the net magnetic moment as a function of the Fe-C bond length. The shaded area indicates where the bond rupture process occurred.