Correction: Construction of isostructural hydrogen-bonded organic frameworks: limitations and possibilities of pore expansion.

[This corrects the article DOI: 10.1039/D1SC02690A.].

Crystal Growth of Urea and Its Modulation by Additives as Analyzed by All-Atom MD Simulation and Solution Theory.

The crystal growth of urea was analyzed with all-atom molecular dynamics (MD) simulation for the (001) and (110) faces in contact with aqueous solutions. The local environment of a crystallizing molecule was treated in terms of the numbers of crystalline neighbors and the orientation relative to the crystal surface, and the molecular-level inhomogeneity of a growing surface was addressed by decomposing the overall rate of growth into a sum of the contributions conditioned by the local structure and orientation mode. The contrast of the growth mechanism between the (001) and (110) faces was then evidenced by the local contributions, and the roles of the outer layers of the crystal toward the liquid region were pointed out for (001).

Construction of isostructural hydrogen-bonded organic frameworks: limitations and possibilities of pore expansion.

The library of isostructural porous frameworks enables a systematic survey to optimize the structure and functionality of porous materials. In contrary to metal-organic frameworks (MOFs) and covalent organic frameworks (COFs), a handful of isostructural frameworks have been reported for hydrogen-bonded organic frameworks (HOFs) due to the weakness of the bonds. Herein, we provide a rule-of-thumb to develop isostructural HOFs, where we demonstrate the construction of the third and fourth generation of isostructural HAT-based HOFs ( and ) by considering three important structural factors, that are (1) directional H-bonding, (2) shape-fitted docking of the HAT core, and (3) modulation of peripheral moieties.