Eb-TMx+ (eV)

Eads-HCOOH (eV)

C2N→TMx+ charge (e−)

HCOOH→C2N-TMx+ charge (e−)

C2N-Co2+

15.16

0.83

−1.11

−0.07

C2N-Cu2+

16.14

0.48

−1.12

−0.02

C2N-Ni2+

14.64

1.15

−1.08

0.01