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

<div>Calculated INS vibrational modes for Model 1 in region (ii). Carbon atoms are grey, hydrogen atoms white, and displacement vectors red arrows. The contribution at 873 cm<sup>−1</sup> is clearly connected to an in-phase oscillation of<i> solo</i> species on well-extended borders, while the intense mode at 958 cm<sup>−1</sup> is connected to out-of-phase modes at<i> duo</i>,<i> trio</i>, and<i> quatro</i> sites that characterize a defective and not extended border.</div>

Advances in Condensed Matter Physics

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Figure 3

Figure 3: Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations 

Figure 3 | Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations 