Tuning crystallinity and stacking of two-dimensional covalent organic frameworks through side-chain interactions

CE Pelkowski, A Natraj, CD Malliakas… - Journal of the …, 2023 - ACS Publications
Two-dimensional covalent organic frameworks (2D COFs) form as layered 2D polymers
whose sheets stack through high-surface-area, noncovalent interactions that can give rise to …

Photons, Excitons, and Electrons in Covalent Organic Frameworks

D Blätte, F Ortmann, T Bein - Journal of the American Chemical …, 2024 - ACS Publications
Covalent organic frameworks (COFs) are created by the condensation of molecular building
blocks and nodes to form two-dimensional (2D) or three-dimensional (3D) crystalline …

Computational Modeling of Reticular Materials: The Past, the Present, and the Future

W Temmerman, R Goeminne, KS Rawat… - Advanced …, 2024 - Wiley Online Library
Reticular materials rely on a unique building concept where inorganic and organic building
units are stitched together giving access to an almost limitless number of structured ordered …

How the layer alignment in two-dimensional nanoporous covalent organic frameworks impacts its electronic properties

KS Rawat, S Borgmans, T Braeckevelt… - ACS Applied Nano …, 2022 - ACS Publications
Two-dimensional nanoporous covalent organic frameworks (2D COFs) have gathered
significant interest due to their wide range of applications. Due to the lack of strong covalent …

OGRe: optimal grid refinement protocol for accurate free energy surfaces and its application in proton hopping in zeolites and 2D COF stacking

S Borgmans, SMJ Rogge, L Vanduyfhuys… - Journal of Chemical …, 2023 - ACS Publications
While free energy surfaces are the crux of our understanding of many chemical and
biological processes, their accuracy is generally unknown. Moreover, many developments to …

Engineering the electrostatic potential in a COF's pore by selecting quadrupolar building blocks and linkages

EA Bittner, K Merkel, F Ortmann - npj 2D Materials and Applications, 2024 - nature.com
The electrostatic potential within porous materials critically influences applications like gas
storage, catalysis, sensors and semiconductor technology. Precise control of this potential in …

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

H Sajid - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Two-dimensional covalent organic frameworks (2D-COFs) are a class of crystalline porous
organic polymers, consisting of 2D-planar sheets stacked together perpendicularly via …

Band gap opening from displacive instabilities in layered covalent-organic frameworks

J Huang, MJ Golomb, SR Kavanagh… - Journal of Materials …, 2022 - pubs.rsc.org
Covalent organic frameworks (COFs) offer a high degree of chemical and structural
flexibility. There is a large family of COFs built from 2D sheets that are stacked to form …

[HTML][HTML] Structural Design of Covalent Organic Frameworks and Their Recent Advancements in Carbon Capture Applications: A Review

M Essalhi, EH Mahmoud, A Tayeb… - Carbon Capture Science …, 2025 - Elsevier
Covalent organic frameworks (COFs) are an attractive subclass of porous solids due to their
strong potential in various applications. The reticular chemistry behind COF design enables …

Tuning the electrostatic energy landscape within the pores of covalent organic frameworks: post-synthetic modification reactions and structural imperfections

E Zojer - Journal of Materials Chemistry A, 2024 - pubs.rsc.org
It is well established that collective electrostatic effects resulting from the periodic
arrangement of polar entities determine the energy-level alignment at conventional, 2D …