Table 2 HOMO and LUMO values of SWCNT-OH before and after adsorption
Adsorptions | HOMO (ha) | LUMO (ha) | E g (eV)* |
---|---|---|---|
SWCNT-OH | −0.1652 | −0.1589 | 0.1714 |
SWCNT-OH/SOF2 | −0.1743 | −0.1680 | 0.1714 |
SWCNT-OH/SO2F2 | −0.1703 | −0.1639 | 0.1741 |
SWCNT-OH/SO2 | −0.1753 | −0.1691 | 0.1687 |
SWCNT-OH/CF4 | −0.1649 | −0.1585 | 0.1741 |