https://www.selleckchem.com/products/sgi-110.html
The effect of the Stone-Wales (SW) defect on the energetic, structural, electronic properties of Na/Na+ adsorption on the Hexa-peri-hexabenzocoronene (HBC) nanographene is investigated using density functional theory calculations. We showed that two kinds of SW defects can be generated in the structure of HBC, and the defected sheets are less stable than the intrinsic HBC by about 63.2-65.3 kcal/mol. The heptagonal ring of SW defect is the most favorable site for the Na and Na+ adsorption and the adsorption energies increase from -0.8 a

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