Issue 11, 2024

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

Abstract

Two-dimensional covalent organic frameworks (2D-COFs) are a class of crystalline porous organic polymers, consisting of 2D-planar sheets stacked together perpendicularly via noncovalent forces. Since their discovery, 2D-COFs have attracted extensive attention for optoelectronic and adsorption applications. Owing to the layer stacking nature of 2D COFs, various new slipped structures that are energetically favourable can be designed. These interlayer slipped structures are actively responsible for tuning (mostly enhancing) the optoelectronic properties, thermal properties, and mechanical strength of 2D COFs. This review summarizes the effect of interlayer slipping on the energetic stability, electronic behaviour and gas adsorption properties of 2D layered COFs, which is explained through computational modelling simulations. Since computational modelling offers a deep insight into electronic behaviour at the atomic scale, which is potentially impossible through experimental techniques, the introduction and role of computational techniques in such studies have also been described.

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

Article information

Article type
Review Article
Submitted
08 jan. 2024
Accepted
14 feb. 2024
First published
29 feb. 2024

Phys. Chem. Chem. Phys., 2024,26, 8577-8603

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

H. Sajid, Phys. Chem. Chem. Phys., 2024, 26, 8577 DOI: 10.1039/D4CP00094C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements