Reasonable peak assignments of N 1
s and C 1
s X-ray photoelectron spectra in amorphous carbon nitrides (a-CN) were determined by ab-initio molecular orbital (MO) calculations. We calculated the binding energies of model molecules representing the components in a-CN. N 1
s and C 1
s spectra were deconvoluted into four and five peaks, respectively. We propose the following assignment for these peaks in N 1
s and C 1
s spectra. Peaks of N 1
s spectra located at around (N-1) 398.5, (N-2) 399.9, (N-3) 400.2 and (N-4) 402.2eV were assigned, respectively, to (N-1) pyridine structure and β-C
3N
4, (N-2) nitril groups, (N-3) sp
3N in graphite structure and sp
2N in aliphatic structure, and (N-4) nitroso groups. Peaks of C 1
s spectra located at around (C-1) 284.5, (C-2) 285.5, (C-3) 286.6, (C-4) 287.0 and (C-5) 288.0eV were assigned, respectively, to (C-1) sp
3C, sp
2C and sp
3C in bonds between carbon and carbon, (C-2) spC, sp
2C and sp
3C in bonds between carbon and nitrogen or oxygen, (C-3) sp
2C and sp
3C in bonds between carbon and nitrogen or oxygen (C-4) ketone groups and β-C
3N
4, and (C-5) carboxyl groups. We monitored the changes in spectra induced by vacuum ultraviolet (VUV) irradiation on a-CN. Only our peak assignments provided a reasonable interpretation of the spectral changes.
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