Chemically controlled nitrogen-doped reduced-Graphene/Graphite oxide frameworks for aiding superior thermal/anti-corrosion performance: Integrated DFT-D & experimental evaluations

For the first time, via a one-pot hydrothermal synthesis method, two types of controlled edge/basal plane N -doped r-GO/graphite oxide (EDNRGO/BPNRGO) platforms were prepared using urea as a cheap, accessible, and eco-friendly precursor. The N-doping impact of the carbon structure on the GO capacity for controlled adsorp-tion/desorption of metal cations as anti-corrosion material was assessed. The reduction degree of the GO oxygen functional groups and the nitrogen atom doping extent were analyzed via UV-Vis, Raman, XPS, FTIR, XRD, and TGA tests. The ID/IG extents resulted from the Raman test were respectively 1.02 and 1.09 for the EDNRGO and BPNRGO, indicating the higher defects for the BPNRGO sample. TGA output evidenced that the thermal stability of the graphene structures was deeply improved after nitrogen doping to 8% (EDNRGO) and 39% (BPNRGO) in comprising with pure-GO. The elemental analysis illustrated 4.87 and 7.78% nitrogen atom existence in the EDNRGO and BPNRGO samples, respectively. The above-mentioned analyses proved that the GO nitrogenation in the EDNRGO type has occurred at a lower level, and mostly in the edge of the graphene sheet than BPNRGO. The XPS test achievement confirmed the higher nitrogenation level in the BPNRGO sample than EDNRGO, recording N/C ratios of 0.061 and 0.003 for BPNRGO and EDNRGO samples, respectively. Also, it was found that most of the N-atoms were successfully inserted within the GO structure for BPNRGO. After selecting a reasonable pH range by zeta potential test, the constructed N-doped GO samples were modified by zinc ions. The corrosion inhibition activations of about 80% and 65% were obtained from the EIS test results for the Zn2+ containing BPNRGO and EDNRGO samples, respectively.

Automated summary

Two types of controlled edge/basal plane N-doped r-GO/graphite oxide platforms were prepared using a hydrothermal synthesis method with urea as a precursor. The effects of N-doping on the carbon structure and thermal stability of the materials were analyzed, and the presence and distribution of N-atoms were confirmed. Corrosion inhibition tests showed that the N-doped GO samples modified with zinc ions exhibited good corrosion resistance.