Figures-

(a) Optimized strucure of C1 Configuration b) Optimized structure of C2 Configuration

(c) Optimized structure of C2 Configuration d) Optimized structure of C1 Configuration

(e) Optimized structure of C2 Configuration f) Optimized structure of C1 Configuration

Fig.1. Adsorption of Phosgene onto (10,0) SWCNT in different configurations.

 Fig.2. Adsorption of Phosgene onto (10,0) SWCNT in different configurations.

Fig.3. I-V analysis of SWCNT (10,0) before and after adsorption of phosgene molecule
 Fig.4. Optimized structure of Boron Doped CNT

Fig.5. (a) Optimized structure of BC1 Configuration (b) Optimized structure of BC2 Configuration
 Fig.6. Density of States comparison for Boron doped SWCNT (10,0) after adsorbing of phosgene molecule.

Fig.7. Optimized structure of Nitrogen Doped SWCNT (10,0)

Fig.8. (a) Optimized structure of NC1 Configuration (b) Optimized structure of NC2 Configuration
 Fig.9. Density of States comparison for Nitrogen doped SWCNT (10,0) after adsorbing of phosgene molecule.

Fig.10. (a) Optimized structure of Pt doped (10,0) SWCNT (b) Optimized structure of after adsorbing Phosgene onto Pt doped (10,0)
SWCNT

Fig.11. Density of States comparison for Pt doped SWCNT (10,0) before and after adsorbing of phosgene molecule.
 Fig.12. I-V analysis of Pt doped SWCNT (10,0) in pristine before and after adsorption of phosgene molecule

Fig.13. (a) Optimized structure of Au doped (10,0) SWCNT (b) Optimized structure of after adsorbing Phosgene onto Au doped (10,0)
SWCNT

Fig.14. Density of States comparison for Au doped SWCNT (10,0) before and after adsorbing of phosgene molecule.
 Fig.15. I-V analysis of Au doped SWCNT (10,0) in pristine before and after adsorption of phosgene molecule

Fig.16. (a) Optimized structure of Pd doped SWCNT (10,0) (b) Optimized structure of after adsorbing Phosgene onto Pd doped SWCNT (10,0)

Fig.17. Density of states analysis comparison for Pd doped SWCNT (10,0) before and after adsorbing of phosgene gas.
 Fig.18. I-V analysis of Pd doped SWCNT (10,0) in before and after adsorption of phosgene

Fig.19. Variation of zero bias conductance( μS) w.r.t binding distance in Pd doped SWCNT (10,0) after adsorbing phosgene gas