Enhancement of NO2 Gas Sensing Properties of Polypyrrole by Polarization Doping with DBS: Experimental and DFT Studies

A new technique of polarization doping was adopted to improve NO2 gas sensing properties of the polypyrrole (PPy) sensor. PPy nanosheets polarization doped with sodium dodecyl benzenesulfonate (SDBS) were synthesized by low-temperature polymerization. The semiagglomerated PPy nanosheets were well-dispersed and a large specific surface areas due to the introduction of dodecyl benzenesulfonate (DBS). The DBS doped PPy sensor shows excellent NO2 sensing performance. Polarization of sulfonate ions to PPy enhanced the adsorption ability of NO2 with the synergistic effect of NO2. The adsorption energy (-0.676 eV) and electron transfer (0.521 |e|) of PPy to NO2 increased greatly after doping. An unoccupied electron state is observed in the valence band electron structure of PPy/DBS after the adsorption of NO2 by calculations of Density Functional Theory (DFT). The intermolecular synergy between NO2 and PPy/DBS causes a strong polarization, resulting in a high polarization potential, which enhances the NO2 sensing performance of PPy sensor. It is of great significance to develop NO2 detection device based on PPy that works at room temperature.

Automated summary

A new technique of polarization doping was used to improve the NO2 gas sensing performance of the polypyrrole sensor. The introduction of sodium dodecyl benzenesulfonate enhanced the dispersion and specific surface area of the PPy nanosheets. The resulting PPy sensor showed excellent NO2 sensing properties due to the enhanced adsorption ability and electron transfer caused by polarization doping.