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. 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.
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. Platinum is named for the Spanish word platina, meaning little. Deconvolution is a process that attempts to remove the broadening that results from instrumental factors, separating the true spec-trum from the observed spectrum. Curve fitting is sometimes misdescribed as being deconvolu-tion.4 Deconvolution is a different process to curve fitting. It is also used to make surgical tools, liquid crystal displays, and electrical resistance wires. integral part of the XPS peak fitting process. Because of its extreme durability and resistance to tarnishing, platinum is widely used to make jewelry. 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. Platinum is very rare, and is naturally found as the uncombined metal. 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.
0 kommentar(er)
