On the reticular construction concept of covalent organic frameworks

• Binit Lukose,
• Agnieszka Kuc,
• Johannes Frenzel and
• Thomas Heine

Beilstein J. Nanotechnol. 2010, 1, 60–70, doi:10.3762/bjnano.1.8

• ; energetic and electronic properties; layer stacking; XRD; Introduction In the past decade, considerable research efforts have been expended on nanoporous materials due to their excellent properties for many applications, such as gas storage and sieving, catalysis, selectivity, sensoring and filtration [1

• their structural, energetic and electronic properties. We have compared the properties of the isolated building blocks with those of the extended crystal structures, and have found that the properties of the building units are indeed maintained after their assembly to a network. Results and Discussion

• B PDOS. The observed relation between number of carbon atoms and band gap is verified. Conclusion In summary, we have designed 2D COFs of various topologies, by connecting building blocks of different connectivity and performed DFTB calculations to understand their structural, energetic and