Covalent Organic Framework (COF-1) under High Pressure
Artikel i vetenskaplig tidskrift, 2020

COF-1 has a structure with rigid 2D layers composed of benzene and B3O3 rings and weak van der Waals bonding between the layers. The as-synthesized COF-1 structure contains pores occupied by solvent molecules. A high surface area empty-pore structure is obtained after vacuum annealing. High-pressure XRD and Raman experiments with mesitylene-filled (COF-1-M) and empty-pore COF-1 demonstrate partial amorphization and collapse of the framework structure above 12–15 GPa. The ambient pressure structure of COF-1-M can be reversibly recovered after compression up to 10–15 GPa. Remarkable stability of highly porous COF-1 structure at pressures at least up to 10 GPa is found even for the empty-pore structure. The bulk modulus of the COF-1 structure (11.2(5) GPa) and linear incompressibilities (k[100]=111(5) GPa, k[001]=15.0(5) GPa) were evaluated from the analysis of XRD data and cross-checked against first-principles calculations. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

2D materials

DFT calculations

Raman spectroscopy


high pressure


Jinhua Sun

Umeå universitet

Chalmers, Industri- och materialvetenskap, Material och tillverkning

Artem Iakunkov

Umeå universitet

Igor A. Baburin

Technische Universität Dresden

Boby Joseph


Vincenzo Palermo

Chalmers, Industri- och materialvetenskap, Material och tillverkning

Alexandr V. Talyzin

Umeå universitet

Angewandte Chemie - International Edition

1433-7851 (ISSN) 1521-3773 (eISSN)

Vol. 59 3 1087-1092


Oorganisk kemi





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