Adsorption of the toxic gas molecules carbon monoxide (CO), carbon dioxide (CO2)
and ammonia (NH3) on the edge of N-doped sawtooth penta-graphene nanoribbons
(N:SSPGNRs) was studied using rst-principles methods. Basing our study on density
functional theory (DFT), we investigated adsorption congurations, adsorption energy,
charge transfer, and the electronic properties of CO-, CO2- and NH3- adsorbed onto
N:SSPGNRs. We found that CO and CO2 are chemisorbed on the edge of N:SSPGNR,
while NH3 is physisorbed. Current-voltage (I{V) characteristics were also investigated
using the non-equilibrium Green's function (NEGF) approach. Gas molecules can modify
the current of a device based on N:SSPGNRs. The results indicate the potential of using
N:SSPGNRs for detection of these toxic gas molecules.