| 
 | 
 | Bond distance (Å) | 
 | Bond angle (˚) | 
| NiFe-LDHs (100) Fe作位点 | Fe-OH | 1.838 | Fe-O-H | 111.564 | 
| Fe-O | 1,853 | Fe-O-O | 115.397 | |
| Fe-OOH | 1.995 | O-O-H | 100.509 | |
| O-OH | 1.419 | 
 | 
 | |
| NiFe-LDHs (100) Ni作位点 | Ni-OH | 1.782 | Ni-O-H | 104.001 | 
| Ni-O | 1.685 | Ni-O-O | 109.296 | |
| Ni-OOH | 2.030 | O-O-H | 102.621 | |
| O-OH | 1.375 | 
 | 
 |