Priyanka Kumari
Chemistry
December 2021
Due to its great capacity for charge movement, the formed design of carbon is used in chemical sensing and small particle catalysis, and the interaction between carbon materials and small molecules is the primary determinant of the manifestation of sensing and synergist reactions. In this study, the heterogeneity of synergist substrates typically used in energy science with [6, 6] the carbon nanobelt was investigated. Decreased Thickness Slope and Balance Adjusted Bother Hypothesis energy decomposition techniques were used in combination ([6, 6] CNB, the interaction properties and mechanisms inside and outside the framework). The results demonstrate that dispersive interactions account for the majority of the attractive properties shared by dimmers, but electrostatic interactions must also be taken into account. The small molecules were more inclined to adsorb in the inner region of [6, 6] CNB because the total energy of the inside adsorption was fundamentally lower than that of the outer adsorption. It was also noted that the dispersive interactions of small molecules adsorbed on [6, 6] CNB were extremely high. Additionally, compared to those adsorbed outside, the dispersive interactions of identical small molecules inside [6, 6] CNB were often more grounded. Scattering became a key factor in the shared attraction with molecules in [6, 6] CNB dimers, accounting for 70% of the total fascination.
0- 0
© Airo Journals 2021
