Adsorption energy (eV per molecule) of XO (X = N and C) molecules onto pristine and Al-doped silicene monolayers.
| XO | 2XO1 | 2XO2 | 2XO3 | 2XO4 | 3XO | 4XO | |
|---|---|---|---|---|---|---|---|
| Onto pristine silicene | |||||||
| NO | −0.46 | −1.22 | −0.45 | −0.32 | −0.44 | −0.48 | −0.47 |
| CO | 0.16 | −0.26 | 0.12 | 0.25 | 0.12 | 0.13 | 0.12 |
| Onto Al-doped silicene | |||||||
| CO | −0.40 | −0.71 | −0.42 | −0.45 | −0.19 | −0.44 | −0.46 |