Beilstein J. Nanotechnol.2010,1, 60–70, doi:10.3762/bjnano.1.8
; energeticandelectronicproperties; 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, energeticandelectronicproperties. 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, energeticand
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Figure 1:
The connector (I–IV) and linker (a–e) units considered in this work. The same nomenclature is used ...