LAUSR

Abstract The effect of Co doping concentration on the optical properties of graphite-like C3N4(g-C3N4) were investigated based on experiment and simulation. The X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectra show the prepared samples are g-C3N4 and Co doped g-C3N4. The UV–Vis diffuse reflectance spectroscopy (DRS) shows heavily Co doped g-C3N4 (0.15 wt%) exhibits better absorption characteristic in the wavelength range 450–800 nm. Using first principles based on density functional theory, the undoped and Co doped C3N4 were built and studied. Compared with others, the heavily Co doped g-C3N4 (C3Co0.375N3.625) exhibits excellent optical properties such as absorption and photoconductivity.