Table 1 Adsorption parameters of Rh-MoTe2 monolayer upon SO2, SOF2, and SO2F2
Systems | Ead (eV) | QT (e) | D (Å) |
---|---|---|---|
SO2 system | − 1.65 | − 0.333 | Rh-O (2.16); Rh-S (2.36) |
SOF2 system | − 0.46 | 0.040 | Rh-O (2.25) |
SO2F2 system | − 2.12 | − 0.753 | Rh-F (2.02); Rh-S (2.26) |
Systems | Ead (eV) | QT (e) | D (Å) |
---|---|---|---|
SO2 system | − 1.65 | − 0.333 | Rh-O (2.16); Rh-S (2.36) |
SOF2 system | − 0.46 | 0.040 | Rh-O (2.25) |
SO2F2 system | − 2.12 | − 0.753 | Rh-F (2.02); Rh-S (2.26) |