On the non-bonding valence band and the electronic properties of poly(triazine imide), a graphitic carbon nitride

Burmeister, David; Eljarrat, Alberto; Guerrini, Michele; Röck, Eva; Plaickner, Julian; Koch, Christoph T.; Banerji, Natalie; Cocchi, Caterina; List-Kratochvil, Emil J. W.; Bojdys, Michael J. (2023). On the non-bonding valence band and the electronic properties of poly(triazine imide), a graphitic carbon nitride. Chemical Science, 14(23), pp. 6269-6277. The Royal Society of Chemistry 10.1039/d3sc00667k

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Graphitic carbon nitrides are covalently-bonded, layered, and crystalline semiconductors with high thermal and oxidative stability. These properties make graphitic carbon nitrides potentially useful in overcoming the limitations of 0D molecular and 1D polymer semiconductors. In this contribution, we study structural, vibrational, electronic and transport properties of nano-crystals of poly(triazine-imide) (PTI) derivatives with intercalated Li- and Br-ions and without intercalates. Intercalation-free poly(triazine-imide) (PTI-IF) is corrugated or AB stacked and partially exfoliated. We find that the lowest energy electronic transition in PTI is forbidden due to a non-bonding uppermost valence band and that its electroluminescence from the π–π* transition is quenched which severely limits their use as emission layer in electroluminescent devices. THz conductivity in nano-crystalline PTI is up to eight orders of magnitude higher than the macroscopic conductivity of PTI films. We find that the charge carrier density of PTI nano-crystals is among the highest of all known intrinsic semiconductors, however, macroscopic charge transport in films of PTI is limited by disorder at crystal–crystal interfaces. Future device applications of PTI will benefit most from single crystal devices that make use of electron transport in the lowest, π-like conduction band.

Item Type:

Journal Article (Original Article)


08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP)

UniBE Contributor:

Röck, Eva Gabriela, Banerji, Natalie


500 Science > 540 Chemistry




The Royal Society of Chemistry


[4] Swiss National Science Foundation ; [239] UniBern Forschungsstiftung




Dimitra Tsokkou

Date Deposited:

10 May 2023 14:49

Last Modified:

18 Jun 2023 02:21

Publisher DOI:


Related URLs:

Additional Information:

The Authors thanks the funders.
N. B. and E. R. acknowledge the Swiss National Science Foundation (Grant 200020_184819) and the University of Bern for financial support.





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