Table 3 Calculated differential capacitance for different intermediates during CO2 reduction reaction.

From: Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics

 

Differential Capacitance, Cdiff

Species

Ni–N2C2

Ni–N3C1

Ni–N4

Empty sites

15.87

20.06

17.02

CO2

29.00

19.85

14.88

Cis-COOH

22.66

15.24

21.93

Trans-COOH

23.79

14.64

20.30

CO

12.34

16.98

14.38

TS01

22.88

13.34

21.98

TS02

23.21

13.25

23.85

TS13

14.01

13.73

13.38

TS23

14.28

12.36

15.56

[Ni–SAC]H

15.87

13.20

19.43

[Ni–SAC]H2

14.91

12.70

14.30