Journal
DIAMOND AND RELATED MATERIALS
Volume 111, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.diamond.2020.108169
Keywords
Carbon nitride; Thin-film; Semi-empirical methods; PM6; Chemical vapor deposition
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Funding
- Junta de Castilla y Leon [VA296P18]
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A polymeric carbon nitride thin film grown by chemical vapor deposition showed a high degree of organization in stacking polymer sheets with strong inter-layer interactions but lacked crystallinity. The material's properties were explained through a comprehensive theoretical study based on semi-empirical quantum chemistry calculations, elucidating fundamental issues regarding the structural conformation of graphitic carbon nitride.
A polymeric carbon nitride thin film has been grown using chemical vapor deposition. The characterization of the material shows that it has the same molecular composition as a formerly synthesized graphitic carbon nitride powder but both substances differ widely in their structural organization. In particular, our analyses reveal a paradoxical character in which the thin film sample exhibits simultaneously a high degree of organization in the stacking of the polymer sheets with strong inter-layer interactions, as expected from the growth technique, and a complete lack of crystallinity. A comprehensive theoretical study based on massive semi-empirical quantum chemistry computations has permitted to explain the properties of the material and to elucidate fundamental issues regarding the structural conformation of graphitic carbon nitride.
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