Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations

<div>Simple models of a carbon fragment with an oxygen-containing functional group: (a) carboxyl and (b) phenol. The computed INS spectrum is obtained by putting the cross section of all the C and H atoms belonging to the aromatic rings artificially to 0 barns. The resulting spectra highlight the contribution of the selected species attached to the carbon cluster only. Calculated spectra (red curves) are compared to the experimental INS spectrum of CW (dotted curve).</div>

Advances in Condensed Matter Physics

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Figure 4

Figure 4: Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations 

Figure 4 | Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations 