Adsorption energy parameters of the stable configuration system (all units in kcal mol−1).
| Systems | Adsorption energy of inhibitor | Adsorption energy of water molecules |
|---|---|---|
| Al (111)/OXM/150H2O | −2359 | −11 |
| Al (111)/TET/150H2O | −2376 | −10 |
| Systems | Adsorption energy of inhibitor | Adsorption energy of water molecules |
|---|---|---|
| Al (111)/OXM/150H2O | −2359 | −11 |
| Al (111)/TET/150H2O | −2376 | −10 |