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Hydrogen bonding CO2 capture mechanism

https://doi.org/10.1016/j.ccst.2022.100039

“Hydrogen bonding is the interaction between hydrogen atom and other hydrogen atom acceptors in the form of covalent bond. Generally, hydrogen bonds exist between hydrogen atoms and the N/O atoms of carbon surface functional groups such as ‒OH, ‒COOH and ‒NH2. For example, oxygen atoms in CO2 are negatively charged due to different electronegativity, enabling the formation of weak hydrogen bonds with C‒H on the carbon surface (Kim and Kim, 2008). Niwa’s model was ever used to study the CO2 adsorption behavior on N-doped carbon surface (Xing et al., 2012). Owing to the strong electronegativity of O atoms in CO2, C‒H…O hydrogen bonding was formed despite the lower strength than O‒H…O and N‒H…O (Kim and Kim, 2008). Also in FT-IR spectra, the existence of hydrogen bonding interaction was confirmed based on the red-shift of the broadened C‒H anti-symmetric vibration peak (Xing et al., 2012). In another work where polybenzoxazine-based porous carbon acted as the adsorbent of CO2, the surface hydroxyl group on the adsorbent was proven responsible for the enhanced CO2 adsorption capacity at a lower binder energy in the presence of hydrogen bonding between –OH and the O atoms of CO2 (Hong et al., 2019).”

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