Influence of layer slipping on adsorption of light gases in covalent organic frameworks: A combined experimental and computational study

pyCOFBuilder: A Python Package for Automated Creation of Covalent Organic Framework Models Based on the Reticular Approach

“…In two-dimensional COFs, the relative displacements of covalent sheets can give rise to several stacking arrangements, and while the prevailing perception characterizes most COFs with a perfectly eclipsed stacking pattern (AA), deviations may occur in COFs with enlarged pores or bulky functional groups, manifesting as synchronized offsets, − staggered stacking (AB), , or stacking disorder . These structural variations have been shown to profoundly influence COFs electronic properties and gas adsorption capacities. − …”

Effect of interlayer slipping on the geometric, thermal and adsorption properties of 2D covalent organic frameworks: a comprehensive review based on computational modelling studies

“…Various approaches including alkali metal doping and 1D porous channel functionalization have been proposed for increasing the adsorption performance of 2D COFs. [170][171][172][173] Despite using these strategies, the maximum gas adsorption capacity is still lower than that of other similar materials, e.g., MOFs. 174 Recently, studies suggested an alternative approach to alter the porous nature and the chemical environment of 2D layered COFs via interlayer slipping.…”

“…Various approaches including alkali metal doping and 1D porous channel functionalization have been proposed for increasing the adsorption performance of 2D COFs. 170–173 Despite using these strategies, the maximum gas adsorption capacity is still lower than that of other similar materials, e.g. , MOFs.…”

Insights into Isotherm Step and Pore-Filling Mechanisms for Water Adsorption in Covalent Organic Frameworks

“…COFs or crystalline porous organic polymers (CPPs) are porous polymers made of organic secondary building units (SBUs, consisting of C, H, O, N, and B atoms) interconnected by robust covalent bonds. This results in 2D and 3D COFs, where the layers interact by π–π and van der Waals interactions and are covalently bonded, respectively. , They are lightweight, possess good mechanical strength, and are safe to use, unlike their metal-containing counterparts, some of which can suffer from metal leaching . For COFs to be considered suitable as water harvesters, they must demonstrate high working capacity, low regeneration energy requirement, high water stability, and a steep S-shaped isotherm (IUPAC type IV or V, displayed by hydrophobic COFs) within a 15 to 40% RH range and with minimal hysteresis. , Hence, COFs with micropores are preferred to avoid hysteresis …”