Facile synthesis of S, N-co-doped carbon dots for bio-imaging, Fe3+ detection and DFT calculation

Turning waste into wealth, herein, two highly fluorescent N and S co-doped carbon dots (N, S-CDs-A and N, S-CDs-B) were synthesized by the hydrothermal reaction of contaminant reactive red 2 (RR2) and L-cysteine or L-methionine, respectively. The detailed morphology and structure of N, S-CDs were characterized by XRD, Raman spectrum, FTIR spectra, TEM, HRTEM, AFM and XPS. The maximum fluorescent of N, S-CDs-A and N, S-CDs-B are 565 and 615 nm under different excitation wavelengths with moderate fluorescence intensity of 14.0 % and 6.3 %, respectively. The microstructure models of N, S-CDs-A and N, S-CDs-B, which were induced by FT-IR, XPS and element analysis, had been applied in DFT calculation. The result indicated that the doping of S and N is beneficial to obtain the red-shift of fluorescent spectra. Both N, S-CDs-A and N, S-CDs-B showed highly sensitive and selective to Fe3+. N, S-CDs-A can also detect Al3+ ion with high sensitivity and selectivity. Finally, N, S-CDs-B was successfully applied in cell imaging.