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Structural Investigation of Graphitic Carbon Nitride via XRD and Neutron Diffraction

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Fina, Federica, Callear, Samantha K., Carins, George M., Irvine, John T. S.·2015·Chemistry of Materials

Abstract

Graphitic carbon nitride (g-C 3 N 4 ) has, since 2009, attracted great attention for its activity as a visible-light-active photocatalyst for hydrogen evolution. Since it was synthesized in 1834, g-C 3 N 4 has been extensively studied both catalytically and structurally. Although its 2D structure seems to have been solved, its 3D crystal structure has not yet been confirmed. This study attempts to solve the 3D structure of graphitic carbon nitride by means of X-ray diffraction and of neutron scattering. Initially, various structural models are considered and their XRD patterns compared to the measured one. After selecting possible candidates as g-C 3 N 4 structure, neutron scattering is employed to identify the best model that describes the 3D structure of graphitic carbon nitride. Parallel chains of tri-s-triazine units organized in layers with an A–B stacking motif are found to describe the structure of the synthesized graphitic carbon nitride well. A misalignment of the layers is favorable because of the decreased π–π repulsive interlayer interactions.

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Metadata

Authors
Fina, F., Callear, S. K., Carins, G. M., & Irvine, J. T. S.
Venue
Chemistry of Materials
Published
2015-04-02
Volume
27
Issue
7
Pages
2612-2618
ISSN
  • 0897-4756 (ISSN-L)
  • 1520-5002
OpenAlex
W2073132299
Cited by
940
References
20
FWCI
9.38
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Structural Investigation of Graphitic Carbon Nitride via XRD and Neutron Diffraction. https://app.cochat.ai/papers/10.1021/acs.chemmater.5b00411
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Fina, F., Callear, S. K., Carins, G. M., & Irvine, J. T. S. (2015). Structural Investigation of Graphitic Carbon Nitride via XRD and Neutron Diffraction. Chemistry of Materials. https://doi.org/10.1021/acs.chemmater.5b00411

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