Compared to the untreated carbon fibre, the. 5 (c) displays seven peak components with binding energies at about 283.4, 284.8, 285.9, 286.7, 288.0, 289.3 and 291.2 eV respectively, associating to the same function groups as the untreated carbon fibre. The C1s peak of GO can be decomposed into 5 peaks as shown in Fig. For GO-PDA treated carbon fibre, its XPS C1s core-level spectrum, shown in Fig. The oxygen content of RGO was much less than that of GO, confirming successful reduction. 3 shows the wide-scan and C1s high-resolution XPS spectra of the three materials. The deconvolution method proposed provides C:O ratios in good agreement (within 5%) of those obtained from total C1s and O1s peaks. The elemental composition and the quality of the GO, RGO, and annealed RGO were studied with XPS. The DFT calculations identified several defect structures that justify the use of 3 peaks for deconvolution of the CC region of C1s XPS spectra. DFT calculations of model compounds (pyrene, cellobiose and peryelene tetracarboxylic dianhydride (PTCDA)) were compared with experimental results to confirm the validity of the calculation method used. To improve assignments, various functional groups and carbon structures have been examined via DFT using an initial state approximation. Deconvolution of the O1s by 4 peaks is used to determine OC and OC contributions which provide upper and lower bounds for the related C1s peaks: CO, CO and COO. To improve the self-consistency of the XPS interpretation a method is proposed based on a 7 peak C1s deconvolution, 3 CC peaks, 3 oxygenated peaks, and pi-pi* transition peak. Here, a thermoseries of cellulose chars was studied to evaluate six published deconvolution schemes however, none were capable of correctly identifying the oxygen content determined by the O1s spectrum.
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High-resolution XPS spectra regarding C1s, O1s, N1s and P2p are discussed.
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The phosphate content increased with the reaction time, as shown by XPS and ATR-FT-IR, a P/N atomic ratio of 0.73 being obtained after 48 h of treatment. Cross-sections were analyzed by SEM fitted with EDS. 155-171 ISSN: 0008-6223 Subject: X-ray photoelectron spectroscopy, carbon, cellobiose, cellulose, models, moieties, oxygen Abstract: The interpretation of C1s XPS spectra from disordered oxygenated carbons remains uncertain despite a variety of schemes reported in the literature. Surface characterization was performed by XPS, ATR-FT-IR, and SEM. Improving the deconvolution and interpretation of XPS spectra from chars by ab initio calculations Author: Matthew Smith, Louis Scudiero, Juan Espinal, Jean-Sabin McEwen, Manuel Garcia-Perez Source: Carbon 2016 v.110 no.