TABLE 2.
Potential determining steps (PDSs), limiting potentials (UL/V), and overpotentials (ƞ/V) for CO2RR on Z-GN and Z-pyN. U0 is the equilibrium potential. Comparison has been made with previous studies. UL, U0, and ƞ are all vs. the RHE.
| PDS | UL | U0 | ƞ | Product | |
|---|---|---|---|---|---|
| Z-GN | *CO2+H+ + e−→*COOH | −0.39 | −0.25 | 0.14 | HCOOH |
| Z-GN | *CO2+H+ + e−→*COOH | −0.39 | −0.11 | 0.28 | CO |
| Z-GN | *CO2+H+ + e−→*HCOO | −0.81 | −0.07 | 0.74 | HCHO |
| Z-pyN | CO2+H+ + e−→*CO2 | −0.38 | −0.25 | 0.13 | HCOOH |
| Z-pyN | CO2+H+ + e−→*CO2 | −0.38 | −0.11 | 0.27 | CO |
| Z-pyN | *COOH + H+ + e−→*COHOH | −0.83 | 0.02 | 0.81 | CH3OH |
| Z-pyN | *COOH + H+ + e−→*COHOH | −0.83 | 0.17 | 0.66 | CH4 |
| PyrroN3 | *COOH + H+ + e−→HOOH | −0.44 | __ | __ | HCOOH |
| Edge-2gN | CO2+H+ + e−→*COOH | −0.52 | __ | __ | CO |
The “*” denotes the adsorption state of the species.