In a similar manner, the MB uptake from aqueous solutions by BDP-TFP-COF as adsorbent at 298 K was investigated by UV/Vis absorption measurements (see Section 3 of the SI for experimental and analytical details). Analysis of the adsorption isotherm with the Langmuir and Freundlich models (Figure and Table ) indicated a favorable adsorption process with a theoretical maximum adsorption capacity of 96.06 mg g -1 , thus revealing a high uptake of MB from H2O into the COF pores. A slightly higher correlation coefficient for the Freundlich model suggests a tendency for multilayer adsorption. This assumption could be rationalized by the planarity of MB, which facilitates further π-π stacking of the aromatic guests. Simulation of the MB adsorption with the Adsorption Locator module in Materials Studio reveals that the adsorption is mainly driven by CH-π interactions between BDP-TFP-COF and MB, which is supported by hydrogen bonding between the amino and keto groups of MP and BDP-TFP-COF, respectively (Figure ). In addition, other attractive forces such as electrostatic interactions between the positively charged dyes and the fluoride moieties of the BODIPY framework might contribute as well.