Journal
JOURNAL OF SOLID STATE CHEMISTRY
Volume 182, Issue 10, Pages 2670-2677Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2009.07.030
Keywords
Graphitic carbon nitride; UV resonance Raman spectroscopy; FTIR spectroscopy; First principles calculations; DFT calculations
Funding
- EPSRC [GRIT00757, EP/D504782]
- Centre National d'Etudes Spatiales (CNES)
- Engineering and Physical Sciences Research Council [EP/D07357X/1, EP/D504872/1] Funding Source: researchfish
- EPSRC [EP/D07357X/1] Funding Source: UKRI
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The graphitic layered compound C6N9H3 center dot HCl was prepared by reaction between melamine and cyanuric chloride under high pressure-high temperature conditions in a piston cylinder apparatus and characterised using SEM, powder X-ray diffraction, UV Raman and near-IR Fourier transform Raman spectroscopy with near-IR excitation. Theoretical calculations using density functional methods permitted evaluation of the mode of attachment of H atoms to nitrogen sites in the structure and a better understanding of the X-ray diffraction pattern. Broadening in the UV and near-IR FT Raman spectra indicate possible disordering of the void sites within the graphitic layers or it could be due to electron-phonon coupling effects. (C) 2009 Elsevier Inc. All rights reserved.
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