Confined benzene within InOF-1: contrasting CO2 and SO2 capture behaviours
作者： Luz J Barrios-Vargas , José G Ruiz-Montoya , Bruno Landeros-Rivera , J Raziel Álvarez , Daniel Alvarado-Alvarado
DOI: 10.1039/C9DT04667D
关键词:
摘要: The confinement of small amounts benzene in InOF-1 (Bz@InOF-1) shows a contradictory behavior the capture CO2 and SO2. While is increased 1.6 times, compared to pristine material, SO2 considerable decrease. To elucidate these behaviors, interactions with Bz@InOF-1 were studied by DFT periodical calculations postulating plausible explanation: (a) case CO2, molecules do not compete for preferential adsorption sites within InOF-1, providing cooperative enhancement (b) strongly inside MOF reducing total capture.
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