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The table represents the % change in density of states (DOS) near Fermi level (Δρ) and % change in the magnetic moment (Δm) with respect to no adsorption of gas in the heterostructure (HS).
| Gas adsorbed | Δρ (states/eV) | Δm (Bohr mag/cell) |
|---|---|---|
| (a) BrF3 | ||
| (i) Br interacts with HS | 5.13 | 5.34 |
| (ii) F interacts with HS | 4.5 (spin up) and 2.97 (spin down) | 0.64 |
| (b) COCl2 | gapless semiconductor | 5.21 |
