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Highlights:
SWCNT (10,0) shows weak adsorption towards phosgene gas, however palladium
(Pd), platinum (Pt), and gold (Au) doped SWCNT could be enhanced sensing for
phosgene gas.
A drastic decrease in the number of available states around the Fermi level after
adsorbing phosgene onto gold (Au) doped SWCNT (10,0) was observed.
Palladium (Pd)-doped SWCNT (10,0) can be a potential candidate for improve sensing
towards phosgene gas compared to all other dopants and variation in I-V analysis.