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Identification of new pillared-layered carbon nitride materials at high pressure

Salamat, A; Deifallah, M; Cabrera, RQ; Corà, F; McMillan, PF; (2013) Identification of new pillared-layered carbon nitride materials at high pressure. Scientific Reports , 3 , Article 2122. 10.1038/srep02122. Green open access

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Abstract

The compression of the layered carbon nitride C6N9H3·HCl was studied experimentally and with density functional theory (DFT) methods. This material has a polytriazine imide structure with Cl(-) ions contained within C12N12 voids in the layers. The data indicate the onset of layer buckling accompanied by movement of the Cl(-) ions out of the planes beginning above 10-20 GPa followed by an abrupt change in the diffraction pattern and c axis spacing associated with formation of a new interlayer bonded phase. The transition pressure is calculated to be 47 GPa for the ideal structures. The new material has mixed sp(2)-sp(3) hybridization among the C and N atoms and it provides the first example of a pillared-layered carbon nitride material that combines the functional properties of the graphitic-like form with improved mechanical strength. Similar behavior is predicted to occur for Cl-free structures at lower pressures.

Type: Article
Title: Identification of new pillared-layered carbon nitride materials at high pressure
Location: England
Open access status: An open access version is available from UCL Discovery
DOI: 10.1038/srep02122
Publisher version: http://dx.doi.org/10.1038/srep02122
Language: English
Additional information: © 2013 Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved. This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/ PMCID: PMC3698513
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/1399590
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