The adsorption energy Ead, charge transfer Q, and band gap Eg of N2O adsorbed on the PG sheet.
| Orientation | Adsorption site | E ad (eV) | E g (eV) | Q (e) |
|---|---|---|---|---|
| N end | C1 | −0.114 | 2.195 | 0.010 |
| N end | C2 | −0.152 | 2.193 | 0.010 |
| O end | C1 | −0.091 | 2.197 | 0.011 |
| O end | C2 | −0.102 | 2.198 | 0.009 |
| Horizontal | C1 | −0.203 | 2.197 | 0.015 |
| Horizontal | C2 | −0.156 | 2.189 | 0.018 |