Table 2 Calculated bond lengths of C2 vacancy and N-, S-, P-doped PG
From: Defect and Doping Engineered Penta-graphene for Catalysis of Hydrogen Evolution Reaction
Structure | d1 (Å) | d2 (Å) | d3 (Å) |
|---|---|---|---|
VC-UPN-doped | 1.50 | 1.39 | 1.42 |
VC-UPS-doped | 1.95 | 1.79 | 1.73 |
VC-UPP-doped | 1.89 | 1.81 | 1.79 |
VC-DOWNN-doped | 1.51 | 1.39 | 1.42 |
VC-DOWNS-doped | 1.95 | 1.80 | 1.74 |
VC-DOWNP-doped | 1.89 | 1.81 | 1.80 |